Co2MoH
Alexandria ALEXAlex-ID: agm005806530 · 空间群: Cccm (#66)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_1026_spg63
Co3H2 Co3Mo MoH
2023-07-10 18:51:44.461306
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005806530).
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 agm005806530
data_agm005806530
_cell_length_a 4.43140
_cell_length_b 4.41936
_cell_length_c 4.53509
_cell_angle_alpha 90.00156
_cell_angle_beta 119.24501
_cell_angle_gamma 89.99838
_cell_volume 77.49445
_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
Co1 Co 0.17990 0.12124 0.62659 1.00000
Co2 Co 0.00674 0.62126 0.28062 1.00000
Co3 Co 0.71907 0.62126 0.62654 1.00000
Co4 Co 0.54633 0.12127 0.28069 1.00000
Mo1 Mo 0.86307 0.12126 0.95362 1.00000
Mo2 Mo 0.36297 0.62126 0.95360 1.00000
H1 H 0.36303 0.87121 0.45352 1.00000
H2 H 0.36297 0.37122 0.45358 1.00000
获取直接链接