CrCoMo
Alexandria ALEXAlex-ID: agm005698607 · 空间群: Imma (#74)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC_63_spg74
Cr CrCo3Mo2 Mo
2023-06-17 06:11:07.970504
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005698607).
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 agm005698607
data_agm005698607
_cell_length_a 4.73923
_cell_length_b 4.73923
_cell_length_c 4.73923
_cell_angle_alpha 89.93072
_cell_angle_beta 118.72531
_cell_angle_gamma 121.37239
_cell_volume 75.16157
_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
Cr1 Cr 0.00000 0.50000 0.50000 1.00000
Cr2 Cr 0.50000 0.00000 0.50000 1.00000
Co1 Co 0.50000 0.50000 0.50000 1.00000
Co2 Co 0.00000 0.50000 0.00000 1.00000
Mo1 Mo 0.25000 0.12884 0.87884 1.00000
Mo2 Mo 0.75000 0.87116 0.12116 1.00000
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