VIBr
Alexandria ALEXAlex-ID: agm079356510 · 空间群: F-43m (#216)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC_158_spg216
V7Br16 VI2 V
2025-02-06 18:14:31
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm079356510).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
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# CIF generated by HEAS from Alexandria entry agm079356510
data_agm079356510
_cell_length_a 8.03884
_cell_length_b 8.03884
_cell_length_c 8.03884
_cell_angle_alpha 60.00000
_cell_angle_beta 60.00000
_cell_angle_gamma 60.00000
_cell_volume 367.33809
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
V1 V 0.37109 0.88673 0.37109 1.00000
V2 V 0.37109 0.37109 0.88673 1.00000
V3 V 0.37109 0.37109 0.37109 1.00000
V4 V 0.88673 0.37109 0.37109 1.00000
I1 I 0.62047 0.13858 0.62047 1.00000
I2 I 0.62047 0.62047 0.13858 1.00000
I3 I 0.62047 0.62047 0.62047 1.00000
I4 I 0.13858 0.62047 0.62047 1.00000
Br1 Br 0.13735 0.58794 0.13735 1.00000
Br2 Br 0.13735 0.13735 0.58794 1.00000
Br3 Br 0.13735 0.13735 0.13735 1.00000
Br4 Br 0.58794 0.13735 0.13735 1.00000
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