|
|
Ag, Br |
Engineering Quantum Phases in Two Dimensions via Vacancy-Induced Electronic Reconstruction |
|
|
N.A. |
N.A. |
N.A. |
2AgBr-2 SS-vacancy-2 Monolayer
In this dataset, we provide the data associated with the work “Engineering Quantum Phases in Two Dimensions via Vacancy-Induced Electronic Reconstruction”. The dataset includes the fully relaxed crystal structures for each material, as well as the electronic-structure calculation outputs used to generate the band structures and other electronic properties.
Article:
Title: Engineering Quantum Phases in Two Dimensions via Vacancy-Induced Electronic Reconstruction
DOI: 10.48550/arXiv.2603.17122 |
E. Victor Caires Lopes, F. Crasto de Lima, C. Lewenkopf, A. Fazzio |
emmanuel.lopes@ilum.cnpem.br |
Ag18Br17 |
VASP |
|
|
|
|
|
N.A. |
Topological phases, 2D Materials, Vacancies |
A17B18 |
2026-08-25T04:04:58 UTC |
Yes |
Ag, Ag, Ag, Ag, Ag, Ag, Ag, Ag, Ag, Ag, Ag, Ag, Ag, Ag, Ag, Ag, Ag, Ag, Br, Br, Br, Br, Br, Br, Br, Br, Br, Br, Br, Br, Br, Br, Br, Br, Br |
Cmm2 |
orthorhombic |
35 |
2 |
1 |
-88.17530097 |
-2.5192943134285715 |
-3.80556317 |
False |
False |
N.A. |
False |
5.4.4.18apr17-6-g9f103f2a35 |
PA |
108e96e6-ab51-4479-87c5-2c7be0c3a7b3 |
/entry/108e96e6-ab51-4479-87c5-2c7be0c3a7b3 |
N.A. |
Go to record |
|
|
F, Mo |
Engineering Quantum Phases in Two Dimensions via Vacancy-Induced Electronic Reconstruction |
|
|
N.A. |
N.A. |
N.A. |
2MoF3-2 SS-vacancy-0 Monolayer
In this dataset, we provide the data associated with the work “Engineering Quantum Phases in Two Dimensions via Vacancy-Induced Electronic Reconstruction”. The dataset includes the fully relaxed crystal structures for each material, as well as the electronic-structure calculation outputs used to generate the band structures and other electronic properties.
Article:
Title: Engineering Quantum Phases in Two Dimensions via Vacancy-Induced Electronic Reconstruction
DOI: 10.48550/arXiv.2603.17122 |
E. Victor Caires Lopes, F. Crasto de Lima, C. Lewenkopf, A. Fazzio |
emmanuel.lopes@ilum.cnpem.br |
Mo17F54 |
VASP |
|
|
|
|
|
N.A. |
Topological phases, 2D Materials, Vacancies |
A17B54 |
2026-08-25T04:03:56 UTC |
Yes |
Mo, Mo, Mo, Mo, Mo, Mo, Mo, Mo, Mo, Mo, Mo, Mo, Mo, Mo, Mo, Mo, Mo, F, F, F, F, F, F, F, F, F, F, F, F, F, F, F, F, F, F, F, F, F, F, F, F, F, F, F, F, F, F, F, F, F, F, F, F, F, F, F, F, F, F, F, F, F, F, F, F, F, F, F, F, F, F |
P-6 |
hexagonal |
71 |
2 |
2 |
-438.04859748 |
-6.169698556056338 |
-4.56590845 |
False |
False |
N.A. |
False |
6.2.0 |
PA |
a4eed5f8-349d-4e38-a9a7-7c6c09c37a14 |
/entry/a4eed5f8-349d-4e38-a9a7-7c6c09c37a14 |
N.A. |
Go to record |
|
|
B, O |
Engineering Quantum Phases in Two Dimensions via Vacancy-Induced Electronic Reconstruction |
|
|
N.A. |
N.A. |
N.A. |
2B2O3-1 SS-vacancy-4 Monolayer
In this dataset, we provide the data associated with the work “Engineering Quantum Phases in Two Dimensions via Vacancy-Induced Electronic Reconstruction”. The dataset includes the fully relaxed crystal structures for each material, as well as the electronic-structure calculation outputs used to generate the band structures and other electronic properties.
Article:
Title: Engineering Quantum Phases in Two Dimensions via Vacancy-Induced Electronic Reconstruction
DOI: 10.48550/arXiv.2603.17122 |
E. Victor Caires Lopes, F. Crasto de Lima, C. Lewenkopf, A. Fazzio |
emmanuel.lopes@ilum.cnpem.br |
B36O53 |
VASP |
|
|
|
|
|
N.A. |
Topological phases, 2D Materials, Vacancies |
A36B53 |
2026-08-25T04:02:54 UTC |
Yes |
B, B, B, B, B, B, B, B, B, B, B, B, B, B, B, B, B, B, B, B, B, B, B, B, B, B, B, B, B, B, B, B, B, B, B, B, O, O, O, O, O, O, O, O, O, O, O, O, O, O, O, O, O, O, O, O, O, O, O, O, O, O, O, O, O, O, O, O, O, O, O, O, O, O, O, O, O, O, O, O, O, O, O, O, O, O, O, O, O |
P1 |
triclinic |
89 |
2 |
2 |
-712.34332876 |
-8.003857626516854 |
-3.7955927 |
False |
False |
N.A. |
False |
5.4.4.18apr17-6-g9f103f2a35 |
PA |
527d1a3c-42c8-4685-8dcd-416c90d9cbda |
/entry/527d1a3c-42c8-4685-8dcd-416c90d9cbda |
N.A. |
Go to record |
|
|
Br, Tl |
Engineering Quantum Phases in Two Dimensions via Vacancy-Induced Electronic Reconstruction |
|
|
N.A. |
N.A. |
N.A. |
2BrTl-2 SS-vacancy-2 Monolayer
In this dataset, we provide the data associated with the work “Engineering Quantum Phases in Two Dimensions via Vacancy-Induced Electronic Reconstruction”. The dataset includes the fully relaxed crystal structures for each material, as well as the electronic-structure calculation outputs used to generate the band structures and other electronic properties.
Article:
Title: Engineering Quantum Phases in Two Dimensions via Vacancy-Induced Electronic Reconstruction
DOI: 10.48550/arXiv.2603.17122 |
E. Victor Caires Lopes, F. Crasto de Lima, C. Lewenkopf, A. Fazzio |
emmanuel.lopes@ilum.cnpem.br |
Tl18Br17 |
VASP |
|
|
|
|
|
N.A. |
Topological phases, 2D Materials, Vacancies |
A17B18 |
2026-08-25T04:01:53 UTC |
Yes |
Tl, Tl, Tl, Tl, Tl, Tl, Tl, Tl, Tl, Tl, Tl, Tl, Tl, Tl, Tl, Tl, Tl, Tl, Br, Br, Br, Br, Br, Br, Br, Br, Br, Br, Br, Br, Br, Br, Br, Br, Br |
Pmm2 |
orthorhombic |
35 |
2 |
1 |
-95.71022101 |
-2.7345777431428573 |
-1.42199065 |
False |
False |
N.A. |
False |
5.4.4.18apr17-6-g9f103f2a35 |
PA |
8034cb01-4c76-44ec-ba7c-510218cebcbb |
/entry/8034cb01-4c76-44ec-ba7c-510218cebcbb |
N.A. |
Go to record |
|
|
Ag, Br |
Engineering Quantum Phases in Two Dimensions via Vacancy-Induced Electronic Reconstruction |
|
|
N.A. |
N.A. |
N.A. |
2AgBr-1 SS-vacancy-0 Monolayer
In this dataset, we provide the data associated with the work “Engineering Quantum Phases in Two Dimensions via Vacancy-Induced Electronic Reconstruction”. The dataset includes the fully relaxed crystal structures for each material, as well as the electronic-structure calculation outputs used to generate the band structures and other electronic properties.
Article:
Title: Engineering Quantum Phases in Two Dimensions via Vacancy-Induced Electronic Reconstruction
DOI: 10.48550/arXiv.2603.17122 |
E. Victor Caires Lopes, F. Crasto de Lima, C. Lewenkopf, A. Fazzio |
emmanuel.lopes@ilum.cnpem.br |
Ag17Br18 |
VASP |
|
|
|
|
|
N.A. |
Topological phases, 2D Materials, Vacancies |
A17B18 |
2026-08-25T04:00:52 UTC |
Yes |
Ag, Ag, Ag, Ag, Ag, Ag, Ag, Ag, Ag, Ag, Ag, Ag, Ag, Ag, Ag, Ag, Ag, Br, Br, Br, Br, Br, Br, Br, Br, Br, Br, Br, Br, Br, Br, Br, Br, Br, Br |
P1 |
triclinic |
35 |
2 |
2 |
-89.65238283 |
-2.561496652285714 |
-4.19624844 |
False |
False |
N.A. |
True |
5.4.4.18apr17-6-g9f103f2a35 |
PA |
805dd31f-0d4e-4644-af5a-abe42a3ca1b2 |
/entry/805dd31f-0d4e-4644-af5a-abe42a3ca1b2 |
N.A. |
Go to record |
|
|
Br, Cu |
Engineering Quantum Phases in Two Dimensions via Vacancy-Induced Electronic Reconstruction |
|
|
N.A. |
N.A. |
N.A. |
2BrCu-3 SS-vacancy-0 Monolayer
In this dataset, we provide the data associated with the work “Engineering Quantum Phases in Two Dimensions via Vacancy-Induced Electronic Reconstruction”. The dataset includes the fully relaxed crystal structures for each material, as well as the electronic-structure calculation outputs used to generate the band structures and other electronic properties.
Article:
Title: Engineering Quantum Phases in Two Dimensions via Vacancy-Induced Electronic Reconstruction
DOI: 10.48550/arXiv.2603.17122 |
E. Victor Caires Lopes, F. Crasto de Lima, C. Lewenkopf, A. Fazzio |
emmanuel.lopes@ilum.cnpem.br |
Cu17Br18 |
VASP |
|
|
|
|
|
N.A. |
Topological phases, 2D Materials, Vacancies |
A17B18 |
2026-08-25T03:59:51 UTC |
Yes |
Cu, Cu, Cu, Cu, Cu, Cu, Cu, Cu, Cu, Cu, Cu, Cu, Cu, Cu, Cu, Cu, Cu, Br, Br, Br, Br, Br, Br, Br, Br, Br, Br, Br, Br, Br, Br, Br, Br, Br, Br |
P-4m2 |
tetragonal |
35 |
2 |
2 |
-102.73436726 |
-2.935267636 |
-3.17234585 |
False |
False |
N.A. |
True |
5.4.4.18apr17-6-g9f103f2a35 |
PA |
3ebf5d07-c3c7-472f-84f0-b40c7035c30f |
/entry/3ebf5d07-c3c7-472f-84f0-b40c7035c30f |
N.A. |
Go to record |
|
|
Br, Zn |
Engineering Quantum Phases in Two Dimensions via Vacancy-Induced Electronic Reconstruction |
|
|
N.A. |
N.A. |
N.A. |
2BrZn-1 SS-vacancy-0 Monolayer
In this dataset, we provide the data associated with the work “Engineering Quantum Phases in Two Dimensions via Vacancy-Induced Electronic Reconstruction”. The dataset includes the fully relaxed crystal structures for each material, as well as the electronic-structure calculation outputs used to generate the band structures and other electronic properties.
Article:
Title: Engineering Quantum Phases in Two Dimensions via Vacancy-Induced Electronic Reconstruction
DOI: 10.48550/arXiv.2603.17122 |
E. Victor Caires Lopes, F. Crasto de Lima, C. Lewenkopf, A. Fazzio |
emmanuel.lopes@ilum.cnpem.br |
Zn17Br18 |
VASP |
|
|
|
|
|
N.A. |
Topological phases, 2D Materials, Vacancies |
A17B18 |
2026-08-25T03:58:50 UTC |
Yes |
Zn, Zn, Zn, Zn, Zn, Zn, Zn, Zn, Zn, Zn, Zn, Zn, Zn, Zn, Zn, Zn, Zn, Br, Br, Br, Br, Br, Br, Br, Br, Br, Br, Br, Br, Br, Br, Br, Br, Br, Br |
Cm |
monoclinic |
35 |
2 |
2 |
-70.48935169 |
-2.013981476857143 |
-3.23273135 |
False |
False |
N.A. |
False |
5.4.4.18apr17-6-g9f103f2a35 |
PA |
7ca31d5e-ed37-4a6a-a1b9-336d662524e9 |
/entry/7ca31d5e-ed37-4a6a-a1b9-336d662524e9 |
N.A. |
Go to record |
|
|
Bi, O |
Engineering Quantum Phases in Two Dimensions via Vacancy-Induced Electronic Reconstruction |
|
|
N.A. |
N.A. |
N.A. |
2Bi2O3-1 SS-vacancy-5 Monolayer
In this dataset, we provide the data associated with the work “Engineering Quantum Phases in Two Dimensions via Vacancy-Induced Electronic Reconstruction”. The dataset includes the fully relaxed crystal structures for each material, as well as the electronic-structure calculation outputs used to generate the band structures and other electronic properties.
Article:
Title: Engineering Quantum Phases in Two Dimensions via Vacancy-Induced Electronic Reconstruction
DOI: 10.48550/arXiv.2603.17122 |
E. Victor Caires Lopes, F. Crasto de Lima, C. Lewenkopf, A. Fazzio |
emmanuel.lopes@ilum.cnpem.br |
Bi16O23 |
VASP |
|
|
|
|
|
N.A. |
Topological phases, 2D Materials, Vacancies |
A16B23 |
2026-08-25T03:57:49 UTC |
Yes |
Bi, Bi, Bi, Bi, Bi, Bi, Bi, Bi, Bi, Bi, Bi, Bi, Bi, Bi, Bi, Bi, O, O, O, O, O, O, O, O, O, O, O, O, O, O, O, O, O, O, O, O, O, O, O |
P1 |
triclinic |
39 |
2 |
1 |
-225.58648751 |
-5.784268910512821 |
-0.52881322 |
False |
False |
N.A. |
False |
5.4.4.18apr17-6-g9f103f2a35 |
PA |
50abf9e9-3003-4aa0-9b05-cfc9c8d8df07 |
/entry/50abf9e9-3003-4aa0-9b05-cfc9c8d8df07 |
N.A. |
Go to record |
|
|
Ag, S |
Engineering Quantum Phases in Two Dimensions via Vacancy-Induced Electronic Reconstruction |
|
|
N.A. |
N.A. |
N.A. |
2SAg2-2 SS-vacancy-0 Monolayer
In this dataset, we provide the data associated with the work “Engineering Quantum Phases in Two Dimensions via Vacancy-Induced Electronic Reconstruction”. The dataset includes the fully relaxed crystal structures for each material, as well as the electronic-structure calculation outputs used to generate the band structures and other electronic properties.
Article:
Title: Engineering Quantum Phases in Two Dimensions via Vacancy-Induced Electronic Reconstruction
DOI: 10.48550/arXiv.2603.17122 |
E. Victor Caires Lopes, F. Crasto de Lima, C. Lewenkopf, A. Fazzio |
emmanuel.lopes@ilum.cnpem.br |
Ag35S18 |
VASP |
|
|
|
|
|
N.A. |
Topological phases, 2D Materials, Vacancies |
A18B35 |
2026-08-25T03:55:47 UTC |
Yes |
Ag, Ag, Ag, Ag, Ag, Ag, Ag, Ag, Ag, Ag, Ag, Ag, Ag, Ag, Ag, Ag, Ag, Ag, Ag, Ag, Ag, Ag, Ag, Ag, Ag, Ag, Ag, Ag, Ag, Ag, Ag, Ag, Ag, Ag, Ag, S, S, S, S, S, S, S, S, S, S, S, S, S, S, S, S, S, S |
P2/m |
monoclinic |
53 |
2 |
2 |
-173.33926005 |
-3.2705520764150946 |
-3.99833553 |
False |
False |
N.A. |
True |
6.2.0 |
PA |
13a29a0a-6340-4d41-a25f-a1b05f953c52 |
/entry/13a29a0a-6340-4d41-a25f-a1b05f953c52 |
N.A. |
Go to record |
|
|
Br, In |
Engineering Quantum Phases in Two Dimensions via Vacancy-Induced Electronic Reconstruction |
|
|
N.A. |
N.A. |
N.A. |
2InBr3-1 SS-vacancy-2 Monolayer
In this dataset, we provide the data associated with the work “Engineering Quantum Phases in Two Dimensions via Vacancy-Induced Electronic Reconstruction”. The dataset includes the fully relaxed crystal structures for each material, as well as the electronic-structure calculation outputs used to generate the band structures and other electronic properties.
Article:
Title: Engineering Quantum Phases in Two Dimensions via Vacancy-Induced Electronic Reconstruction
DOI: 10.48550/arXiv.2603.17122 |
E. Victor Caires Lopes, F. Crasto de Lima, C. Lewenkopf, A. Fazzio |
emmanuel.lopes@ilum.cnpem.br |
In8Br23 |
VASP |
|
|
|
|
|
N.A. |
Topological phases, 2D Materials, Vacancies |
A8B23 |
2026-08-25T03:54:45 UTC |
Yes |
In, In, In, In, In, In, In, In, Br, Br, Br, Br, Br, Br, Br, Br, Br, Br, Br, Br, Br, Br, Br, Br, Br, Br, Br, Br, Br, Br, Br |
Cm |
monoclinic |
31 |
2 |
2 |
-83.81730429 |
-2.7037840093548384 |
-2.7042786 |
False |
False |
N.A. |
False |
6.2.0 |
PA |
af1387f8-77f9-4cf1-8cc4-bae136c468a9 |
/entry/af1387f8-77f9-4cf1-8cc4-bae136c468a9 |
N.A. |
Go to record |