VI2
Alexandria ALEXAlex-ID: agm070912802 · 空间群: P4_332 (#212)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2_8394_spg212
VI2
2024-08-07 11:08:34.160231
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm070912802).
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}
}晶体结构 3D 渲染
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm070912802
data_agm070912802
_cell_length_a 12.90145
_cell_length_b 12.90145
_cell_length_c 12.90145
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 2147.41097
_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 0.12500 0.94528 0.30472 1.00000
V2 V 0.37500 0.05472 0.80472 1.00000
V3 V 0.87500 0.44528 0.19528 1.00000
V4 V 0.62500 0.55472 0.69528 1.00000
V5 V 0.30472 0.12500 0.94528 1.00000
V6 V 0.80472 0.37500 0.05472 1.00000
V7 V 0.19528 0.87500 0.44528 1.00000
V8 V 0.69528 0.62500 0.55472 1.00000
V9 V 0.94528 0.30472 0.12500 1.00000
V10 V 0.05472 0.80472 0.37500 1.00000
V11 V 0.44528 0.19528 0.87500 1.00000
V12 V 0.55472 0.69528 0.62500 1.00000
I1 I 0.83521 0.58399 0.04203 1.00000
I2 I 0.66479 0.41601 0.54203 1.00000
I3 I 0.16479 0.08399 0.45797 1.00000
I4 I 0.33521 0.91601 0.95797 1.00000
I5 I 0.04203 0.83521 0.58399 1.00000
I6 I 0.54203 0.66479 0.41601 1.00000
I7 I 0.45797 0.16479 0.08399 1.00000
I8 I 0.95797 0.33521 0.91601 1.00000
I9 I 0.58399 0.04203 0.83521 1.00000
I10 I 0.41601 0.54203 0.66479 1.00000
I11 I 0.08399 0.45797 0.16479 1.00000
I12 I 0.91601 0.95797 0.33521 1.00000
I13 I 0.83399 0.58521 0.70797 1.00000
I14 I 0.66601 0.41479 0.20797 1.00000
I15 I 0.33399 0.91479 0.29203 1.00000
I16 I 0.16601 0.08521 0.79203 1.00000
I17 I 0.08521 0.79203 0.16601 1.00000
I18 I 0.91479 0.29203 0.33399 1.00000
I19 I 0.41479 0.20797 0.66601 1.00000
I20 I 0.58521 0.70797 0.83399 1.00000
I21 I 0.29203 0.33399 0.91479 1.00000
I22 I 0.79203 0.16601 0.08521 1.00000
I23 I 0.70797 0.83399 0.58521 1.00000
I24 I 0.20797 0.66601 0.41479 1.00000
