V8Cr2Os
Alexandria ALEXAlex-ID: agm003523964 · 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_314_spg12
V5Cr4 V7Os V5Os
2022-03-18 12:29:35.111298
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003523964).
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 agm003523964
data_agm003523964
_cell_length_a 4.91735
_cell_length_b 5.76910
_cell_length_c 5.76910
_cell_angle_alpha 90.18936
_cell_angle_beta 84.50207
_cell_angle_gamma 84.50207
_cell_volume 162.14674
_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 0.72802 0.09079 0.61173 1.00000
V2 V 0.27198 0.38827 0.90921 1.00000
V3 V 0.95035 0.30162 0.30162 1.00000
V4 V 0.04965 0.69838 0.69838 1.00000
V5 V 0.72802 0.61173 0.09079 1.00000
V6 V 0.27198 0.90921 0.38827 1.00000
V7 V 0.34986 0.41551 0.41551 1.00000
V8 V 0.65014 0.58449 0.58449 1.00000
Cr1 Cr 0.52767 0.13900 0.13900 1.00000
Cr2 Cr 0.47233 0.86100 0.86100 1.00000
Os1 Os 0.00000 0.00000 0.00000 1.00000
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