V8CrSi2
Alexandria ALEXAlex-ID: agm003527367 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C8_278_spg12
V5Cr4 V12CrSi3 V3Si
2022-03-17 18:02:11.033968
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003527367).
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
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# CIF generated by HEAS from Alexandria entry agm003527367
data_agm003527367
_cell_length_a 4.21184
_cell_length_b 5.69143
_cell_length_c 6.88593
_cell_angle_alpha 109.80667
_cell_angle_beta 107.80806
_cell_angle_gamma 90.00000
_cell_volume 146.86631
_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 0.38590 0.58774 0.77180 1.00000
V2 V 0.65569 0.90825 0.31138 1.00000
V3 V 0.83017 0.81390 0.66034 1.00000
V4 V 0.99371 0.27069 0.98742 1.00000
V5 V 0.16983 0.18610 0.33966 1.00000
V6 V 0.34431 0.09175 0.68862 1.00000
V7 V 0.61410 0.41226 0.22820 1.00000
V8 V 0.00629 0.72931 0.01258 1.00000
Cr1 Cr 0.50000 0.00000 0.00000 1.00000
Si1 Si 0.80971 0.32548 0.61942 1.00000
Si2 Si 0.19029 0.67452 0.38058 1.00000
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