Materials Informatics Database

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Type: str

25%

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Field: _id

Type: str

25%

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Type: str

25%

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Type: str

25%

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Field: array_labels_line

Type: list/str

25%

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Field: atomic_symbols

Type: list/str

25%

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Field: authors

Type: list/dict

25%

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Field: authors.csrf_token

Type: NoneType

25%

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Field: authors.first_name

Type: str

25%

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Type: str

25%

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Field: band_properties

Type: list/float

25%

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average size	4.0
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Field: beamline.collimation

Type: str

25%

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Type: str

25%

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Field: beamline.harmonic_rejection

Type: str

25%

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Field: beamline.i0

Type: str

25%

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Field: beamline.if

Type: str

25%

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Field: beamline.name

Type: str

25%

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Field: beamline.notes

Type: str

25%

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Field: beamline.table_translation

Type: str

25%

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Field: beamline.xray_source

Type: str

25%

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Type: str

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Type: str

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Type: str

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Type: str

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Field: column.5

Type: str

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Field: column.6

Type: str

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Type: str

25%

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Field: column.8

Type: str

25%

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Field: columns

Type: list/dict

25%

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Type: list/float

25%

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Field: columns.label

Type: str

25%

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Type: int

25%

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Field: columns.unit

Type: str

25%

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Field: comments

Type: list/str

25%

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Field: dataset

Type: str

25%

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Field: description

Type: str

25%

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Field: detector.i0

Type: str

25%

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Field: detector.i1

Type: str

25%

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Field: detector.i2

Type: str

25%

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Field: dielectric_constant

Type: list

25%

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Field: dimensionality

Type: int

25%

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Field: edc.del

Type: str

25%

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Field: edc.gains

Type: str

25%

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Field: edc.offsets

Type: str

25%

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Field: edc.srb

Type: str

25%

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Field: element.edge

Type: str

25%

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Field: element.symbol

Type: str

25%

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Field: elements

Type: list/str

25%

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Field: entry_type

Type: str

25%

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Field: facility.energy

Type: str

25%

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Field: facility.name

Type: str

25%

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Field: facility.xray_source

Type: str

25%

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Field: fermi_level

Type: float

25%

Query

Field: files

Type: list/dict

25%

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Field: files.content_type

Type: str

25%

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Type: str

25%

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Field: files.file

Type: bson.objectid.ObjectId

25%

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Type: str

25%

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Field: files.rule

Type: str

25%

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Field: files.size

Type: int

25%

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Field: final_energy

Type: float

25%

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Field: final_energy_per_atom

Type: float

25%

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Field: formula

Type: str

25%

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Field: gse.extra

Type: str

25%

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Field: is_hubbard

Type: bool

25%

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Field: is_metal

Type: bool

25%

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Field: is_public

Type: bool

25%

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Field: is_spin_polarized

Type: bool

25%

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Field: keywords

Type: list/str

25%

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Field: lattice.@class

Type: str

25%

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Field: lattice.@module

Type: str

25%

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Type: list/list

25%

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Field: lattice.pbc

Type: list/bool

25%

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Field: lattice_type

Type: str

25%

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Field: log

Type: list/dict

25%

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average size	3.26
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Field: log.message

Type: str

25%

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Field: log.timestamp

Type: datetime.datetime

25%

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Field: log.type

Type: str

25%

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Field: mono.d_spacing

Type: float

25%

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Field: mono.name

Type: str

25%

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Field: mono.notes

Type: str

25%

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Field: mono.stpdeg

Type: int

25%

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Field: number_of_elements

Type: int

25%

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Field: number_of_sites

Type: int

25%

Query

Field: reciprocal_lattice.@class

Type: str

25%

Query

Field: reciprocal_lattice.@module

Type: str

25%

Query

Field: reciprocal_lattice.matrix

Type: list/list

25%

Query

Field: reciprocal_lattice.pbc

Type: list/bool

25%

Query

Field: run_type

Type: str

25%

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Field: sample.formula

Type: str

25%

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Field: sample.name

Type: str

25%

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Field: sample.notes

Type: str

25%

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Field: sample.prep

Type: str

25%

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Field: sample.reference

Type: str

25%

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Field: sample.sample

Type: str

25%

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Field: sample.temperature

Type: str

25%

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Field: scan.edge_energy

Type: str

25%

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Field: scan.end_time

Type: datetime.datetime

25%

Query

Field: scan.start_time

Type: datetime.datetime

25%

Query

Field: scanparameters.e0

Type: float

25%

Query

Field: scanparameters.legend

Type: str

25%

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Field: scanparameters.region1

Type: str

25%

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Field: scanparameters.region2

Type: str

25%

Query

Field: scanparameters.region3

Type: str

25%

Query

Field: scanparameters.scantype

Type: str

25%

Query

Field: scanparameters.start

Type: str

25%

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Field: space_group

Type: str

25%

Query

Field: structure.@class

Type: str

25%

Query

Field: structure.@module

Type: str

25%

Query

Field: structure.composition.Ag

Type: float

25%

Query

Field: structure.composition.Al

Type: float

25%

Query

Field: structure.composition.As

Type: float

25%

Query

Field: structure.composition.Au

Type: float

25%

Query

Field: structure.composition.B

Type: float

25%

Query

Field: structure.composition.Ba

Type: float

25%

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Field: structure.composition.Bi

Type: float

25%

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Field: structure.composition.Br

Type: float

25%

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Field: structure.composition.C

Type: float

25%

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Field: structure.composition.Ca

Type: float

25%

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Field: structure.composition.Cd

Type: float

25%

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Field: structure.composition.Cl

Type: float

25%

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Field: structure.composition.Cr

Type: float

25%

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Field: structure.composition.Cu

Type: float

25%

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Field: structure.composition.F

Type: float

25%

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Field: structure.composition.Fe

Type: float

25%

Query

Field: structure.composition.Ga

Type: float

25%

Query

Field: structure.composition.Ge

Type: float

25%

Query

Field: structure.composition.H

Type: float

25%

Query

Field: structure.composition.Hf

Type: float

25%

Query

Field: structure.composition.Hg

Type: float

25%

Query

Field: structure.composition.I

Type: float

25%

Query

Field: structure.composition.In

Type: float

25%

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Field: structure.composition.Ir

Type: float

25%

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Field: structure.composition.Mg

Type: float

25%

Query

Field: structure.composition.Mo

Type: float

25%

Query

Field: structure.composition.N

Type: float

25%

Query

Field: structure.composition.Nb

Type: float

25%

Query

Field: structure.composition.O

Type: float

25%

Query

Field: structure.composition.Os

Type: float

25%

Query

Field: structure.composition.P

Type: float

25%

Query

Field: structure.composition.Pb

Type: float

25%

Query

Field: structure.composition.Pd

Type: float

25%

Query

Field: structure.composition.Pt

Type: float

25%

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Field: structure.composition.Re

Type: float

25%

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Field: structure.composition.Rh

Type: float

25%

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Field: structure.composition.Ru

Type: float

25%

Query

Field: structure.composition.S

Type: float

25%

Query

Field: structure.composition.Sb

Type: float

25%

Query

Field: structure.composition.Sc

Type: float

25%

Query

Field: structure.composition.Se

Type: float

25%

Query

Field: structure.composition.Si

Type: float

25%

Query

Field: structure.composition.Sn

Type: float

25%

Query

Field: structure.composition.Sr

Type: float

25%

Query

Field: structure.composition.Ta

Type: float

25%

Query

Field: structure.composition.Te

Type: float

25%

Query

Field: structure.composition.Ti

Type: float

25%

Query

Field: structure.composition.Tl

Type: float

25%

Query

Field: structure.composition.V

Type: float

25%

Query

Field: structure.composition.W

Type: float

25%

Query

Field: structure.composition.Y

Type: float

25%

Query

Field: structure.composition.Zn

Type: float

25%

Query

Field: structure.composition.Zr

Type: float

25%

Query

Field: structure.correction

Type: float

25%

Query

Field: structure.energy

Type: float

25%

Query

Field: structure.energy_adjustments

Type: list

25%

Query

Field: structure.entry_id

Type: str

25%

Query

Field: structure.parameters.is_hubbard

Type: bool

25%

Query

Field: structure.parameters.potcar_spec

Type: list/dict

25%

Query


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Field: structure.parameters.potcar_spec.hash

Type: NoneType

25%

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Field: structure.parameters.potcar_spec.titel

Type: str

25%

Query

Field: structure.parameters.potcar_symbols

Type: list/str

25%

Query

Field: structure.parameters.run_type

Type: str

25%

Query

Field: structure.structure.@class

Type: str

25%

Query

Field: structure.structure.@module

Type: str

25%

Query

Field: structure.structure.charge

Type: float

25%

Query

Field: structure.structure.lattice.a

Type: float

25%

Query

Field: structure.structure.lattice.alpha

Type: float

25%

Query

Field: structure.structure.lattice.b

Type: float

25%

Query

Field: structure.structure.lattice.beta

Type: float

25%

Query

Field: structure.structure.lattice.c

Type: float

25%

Query

Field: structure.structure.lattice.gamma

Type: float

25%

Query

Field: structure.structure.lattice.matrix

Type: list/list

25%

Query

Field: structure.structure.lattice.pbc

Type: list/bool

25%

Query

Field: structure.structure.lattice.volume

Type: float

25%

Query

Field: structure.structure.sites

Type: list/dict

25%

Query


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Field: structure.structure.sites.abc

Type: list/float

25%

Query


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Field: structure.structure.sites.label

Type: str

25%

Query

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Type: list/dict

25%

Query


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Field: structure.structure.sites.species.element

Type: str

25%

Query

Field: structure.structure.sites.species.occu

Type: int

25%

Query

Field: structure.structure.sites.xyz

Type: list/float

25%

Query


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Field: subversion

Type: str

25%

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Field: supplemental_information.files

Type: list/dict

25%

Query


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Field: supplemental_information.files.content_type

Type: str

25%

Query

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Type: str

25%

Query

Field: supplemental_information.files.file

Type: bson.objectid.ObjectId

25%

Query

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Type: str

25%

Query

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Type: int

25%

Query

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Type: list/dict

25%

Query


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Field: supplemental_information.images.content_type

Type: str

25%

Query

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Type: str

25%

Query

Field: supplemental_information.images.file

Type: bson.objectid.ObjectId

25%

Query

Field: supplemental_information.images.name

Type: str

25%

Query

Field: supplemental_information.images.size

Type: int

25%

Query

Field: supplemental_information.information.a1

Type: list/float

25%

Query


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Type: list/float

25%

Query


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Type: list/float

25%

Query


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Field: supplemental_information.information.angle_a1a2_a1a3_a2a3

Type: list/float

25%

Query


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Field: supplemental_information.information.angle_b1b2_b1b3_b2b3

Type: list/float

25%

Query


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Field: supplemental_information.information.angle_perc_mismatch

Type: list/list

25%

Query

Field: supplemental_information.information.anions

Type: list/str

25%

Query

Field: supplemental_information.information.area_perc_mismatch

Type: list/list

25%

Query

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Type: list/float

25%

Query


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Field: supplemental_information.information.b2

Type: list/float

25%

Query


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Field: supplemental_information.information.b3

Type: list/float

25%

Query


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Field: supplemental_information.information.cations

Type: list/str

25%

Query

Field: supplemental_information.information.cb.hoss

Type: NoneType

25%

Query

Field: supplemental_information.information.cb.hoss.accessibility

Type: float

25%

Query

Field: supplemental_information.information.cb.hoss.anti_crossing

Type: bool

25%

Query

Field: supplemental_information.information.cb.hoss.delta_e

Type: float

25%

Query

Field: supplemental_information.information.cb.hoss.delta_k

Type: float

25%

Query

Field: supplemental_information.information.cb.hoss.k_segment

Type: str

25%

Query

Field: supplemental_information.information.cb.hoss.kpoint

Type: list/float

25%

Query


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Field: supplemental_information.information.cb.hoss.spin_splitting

Type: float

25%

Query

Field: supplemental_information.information.cb.index

Type: int

25%

Query

Field: supplemental_information.information.cb.lss

Type: NoneType

25%

Query

Field: supplemental_information.information.cb.lss.accessibility

Type: int

25%

Query

Field: supplemental_information.information.cb.lss.anti_crossing

Type: bool

25%

Query

Field: supplemental_information.information.cb.lss.delta_e

Type: float

25%

Query

Field: supplemental_information.information.cb.lss.delta_k

Type: float

25%

Query

Field: supplemental_information.information.cb.lss.k_segment

Type: str

25%

Query

Field: supplemental_information.information.cb.lss.kpoint

Type: list/float

25%

Query


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Field: supplemental_information.information.cb.lss.rashba_param

Type: float

25%

Query

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Type: float

25%

Query

Field: supplemental_information.information.cb.zss

Type: list/dict

25%

Query


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Field: supplemental_information.information.cb.zss.accessibility

Type: float

25%

Query

Field: supplemental_information.information.cb.zss.kpoint.coords

Type: list/float

25%

Query


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Field: supplemental_information.information.cb.zss.kpoint.label

Type: str

25%

Query

Field: supplemental_information.information.cb.zss.spin_splitting

Type: float

25%

Query

Field: supplemental_information.information.cb_SS

Type: bool

25%

Query

Field: supplemental_information.information.cbm

Type: int

25%

Query

Field: supplemental_information.information.cbm_SO

Type: int

25%

Query

Field: supplemental_information.information.cell_area

Type: float

25%

Query

Field: supplemental_information.information.charge_transfer

Type: list/list

25%

Query

Field: supplemental_information.information.charge_transfer_SO

Type: list/list

25%

Query

Field: supplemental_information.information.deformation_matrix

Type: list/list

25%

Query

Field: supplemental_information.information.direct_coord_ions

Type: list/list

25%

Query

Field: supplemental_information.information.e_binding

Type: float

25%

Query

Field: supplemental_information.information.e_cbm

Type: float

25%

Query

Field: supplemental_information.information.e_cbm_SO

Type: float

25%

Query

Field: supplemental_information.information.e_fermi

Type: float

25%

Query

Field: supplemental_information.information.e_fermi_SO

Type: float

25%

Query

Field: supplemental_information.information.e_per_area

Type: float

25%

Query

Field: supplemental_information.information.e_per_area_SO

Type: float

25%

Query

Field: supplemental_information.information.e_per_ion

Type: float

25%

Query

Field: supplemental_information.information.e_per_ion_SO

Type: float

25%

Query

Field: supplemental_information.information.e_slide

Type: float

25%

Query

Field: supplemental_information.information.e_vacuum

Type: float

25%

Query

Field: supplemental_information.information.e_vacuum_SO

Type: float

25%

Query

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Type: float

25%

Query

Field: supplemental_information.information.e_vbm_SO

Type: float

25%

Query

Field: supplemental_information.information.exchange_correlation_functional

Type: str

25%

Query

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Type: str

25%

Query

Field: supplemental_information.information.gap

Type: float

25%

Query

Field: supplemental_information.information.gap_SO

Type: float

25%

Query

Field: supplemental_information.information.has_HOSS

Type: bool

25%

Query

Field: supplemental_information.information.has_LSS

Type: bool

25%

Query

Field: supplemental_information.information.has_ZSS

Type: bool

25%

Query

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Type: str

25%

Query

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Type: list/str

25%

Query

Field: supplemental_information.information.inversion_symmetry

Type: list/bool

25%

Query

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Type: int

25%

Query

Field: supplemental_information.information.ispin_SO

Type: int

25%

Query

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Type: list/float

25%

Query


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Type: list/float

25%

Query


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Field: supplemental_information.information.k_vbm

Type: list/float

25%

Query


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Type: list/float

25%

Query


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Field: supplemental_information.information.kpath

Type: list/list

25%

Query

Field: supplemental_information.information.kpath_label

Type: list/str

25%

Query

Field: supplemental_information.information.label_ions

Type: list/str

25%

Query

Field: supplemental_information.information.lattice_type

Type: str

25%

Query

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Type: int

25%

Query

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Type: int

25%

Query

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Type: list/float

25%

Query


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Type: list/float

25%

Query


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Type: int

25%

Query

Field: supplemental_information.information.nb_SO

Type: int

25%

Query

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Type: float

25%

Query

Field: supplemental_information.information.ne_SO

Type: float

25%

Query

Field: supplemental_information.information.nk

Type: int

25%

Query

Field: supplemental_information.information.nk_SO

Type: int

25%

Query

Field: supplemental_information.information.non_collinear

Type: str

25%

Query

Field: supplemental_information.information.number_ions

Type: int

25%

Query

Field: supplemental_information.information.number_ions_layers

Type: list/int

25%

Query


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Type: int

25%

Query

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Type: list/list

25%

Query

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Type: list/float

25%

Query


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Type: list/float

25%

Query


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Type: list/list

25%

Query

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Type: list/str

25%

Query

Field: supplemental_information.information.polar

Type: bool

25%

Query

Field: supplemental_information.information.pseudo_type

Type: str

25%

Query

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Type: list/str

25%

Query

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Type: list/float

25%

Query


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Type: list/float

25%

Query


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Type: list/str

25%

Query

Field: supplemental_information.information.space_group_number

Type: list/int

25%

Query


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Type: str

25%

Query

Field: supplemental_information.information.strain_matrix

Type: list/list

25%

Query

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Type: str

25%

Query

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Type: list/list

25%

Query

Field: supplemental_information.information.thickness

Type: list/float

25%

Query


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Type: float

25%

Query

Field: supplemental_information.information.total_energy_SO

Type: float

25%

Query

Field: supplemental_information.information.total_thickness

Type: float

25%

Query

Field: supplemental_information.information.type_gap

Type: str

25%

Query

Field: supplemental_information.information.type_gap_SO

Type: str

25%

Query

Field: supplemental_information.information.type_ions_layers

Type: list/list

25%

Query

Field: supplemental_information.information.vb.hoss

Type: list/dict

25%

Query


average size	1.75
minimum size	1
maximum size	5

Field: supplemental_information.information.vb.hoss.accessibility

Type: float

25%

Query

Field: supplemental_information.information.vb.hoss.anti_crossing

Type: bool

25%

Query

Field: supplemental_information.information.vb.hoss.delta_e

Type: float

25%

Query

Field: supplemental_information.information.vb.hoss.delta_k

Type: float

25%

Query

Field: supplemental_information.information.vb.hoss.k_segment

Type: str

25%

Query

Field: supplemental_information.information.vb.hoss.kpoint

Type: list/float

25%

Query


average size	3.0
minimum size	3
maximum size	3

Field: supplemental_information.information.vb.hoss.spin_splitting

Type: float

25%

Query

Field: supplemental_information.information.vb.index

Type: int

25%

Query

Field: supplemental_information.information.vb.lss

Type: NoneType

25%

Query

Field: supplemental_information.information.vb.lss.accessibility

Type: float

25%

Query

Field: supplemental_information.information.vb.lss.anti_crossing

Type: bool

25%

Query

Field: supplemental_information.information.vb.lss.delta_e

Type: float

25%

Query

Field: supplemental_information.information.vb.lss.delta_k

Type: float

25%

Query

Field: supplemental_information.information.vb.lss.k_segment

Type: str

25%

Query

Field: supplemental_information.information.vb.lss.kpoint

Type: list/float

25%

Query


average size	3.0
minimum size	3
maximum size	3

Field: supplemental_information.information.vb.lss.rashba_param

Type: float

25%

Query

Field: supplemental_information.information.vb.lss.spin_splitting

Type: float

25%

Query

Field: supplemental_information.information.vb.zss

Type: list/dict

25%

Query


average size	1.02
minimum size	1
maximum size	2

Field: supplemental_information.information.vb.zss.accessibility

Type: int

25%

Query

Field: supplemental_information.information.vb.zss.kpoint.coords

Type: list/float

25%

Query


average size	1.09
minimum size	1
maximum size	2

Field: supplemental_information.information.vb.zss.kpoint.label

Type: str

25%

Query

Field: supplemental_information.information.vb.zss.spin_splitting

Type: float

25%

Query

Field: supplemental_information.information.vb_SS

Type: bool

25%

Query

Field: supplemental_information.information.vbm

Type: int

25%

Query

Field: supplemental_information.information.vbm_SO

Type: int

25%

Query

Field: supplemental_information.information.vdW

Type: str

25%

Query

Field: supplemental_information.information.z_separation

Type: list/float

25%

Query


average size	1.0
minimum size	1
maximum size	1

Field: supplemental_information.information.zb_area

Type: float

25%

Query

Field: upload_date

Type: datetime.datetime

25%

Query

Field: user

Type: str

25%

Query

Field: vasp_version

Type: str

25%

Query

Field: version

Type: str

25%

Query

Field: xas_type

Type: str

25%

Query

Field: xdi_version.application

Type: str

25%

Query

Field: xdi_version.release

Type: int

25%

Query

Field: xdi_version.subversion

Type: int

25%

Query

Field: xdi_version.version

Type: int

25%

Query

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