PmHo3C2
Alexandria ALEXAlex-ID: agm005698405 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_2203_spg166
Ho2C Pm2C
2023-08-07 09:15:55.569058
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005698405).
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 agm005698405
data_agm005698405
_cell_length_a 13.07630
_cell_length_b 13.07680
_cell_length_c 7.46606
_cell_angle_alpha 28.86729
_cell_angle_beta 28.86739
_cell_angle_gamma 31.98771
_cell_volume 278.90426
_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
Pm1 Pm 0.24493 0.24490 0.25532 1.00000
Pm2 Pm 0.75507 0.75510 0.74468 1.00000
Ho1 Ho 0.26137 0.76464 0.73519 1.00000
Ho2 Ho 0.76461 0.26141 0.73519 1.00000
Ho3 Ho 0.26151 0.26154 0.74132 1.00000
Ho4 Ho 0.23539 0.73859 0.26481 1.00000
Ho5 Ho 0.73863 0.23536 0.26481 1.00000
Ho6 Ho 0.73849 0.73846 0.25868 1.00000
C1 C 0.00000 0.00000 0.00000 1.00000
C2 C 0.50000 0.00000 0.00000 1.00000
C3 C 0.50000 0.50000 0.00000 1.00000
C4 C 0.00000 0.50000 0.00000 1.00000
获取直接链接