Pm5Y5Ho2
Alexandria ALEXAlex-ID: agm005644616 · 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
A2B5C5_47_spg12
Pm5Y Pm3Ho5 PmY2
2023-06-19 14:47:31.704568
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005644616).
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 agm005644616
data_agm005644616
_cell_length_a 5.73894
_cell_length_b 6.57388
_cell_length_c 12.23960
_cell_angle_alpha 75.25122
_cell_angle_beta 76.44126
_cell_angle_gamma 64.11949
_cell_volume 397.70809
_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 0.50000 0.50000 0.50000 1.00000
Pm2 Pm 0.30168 0.36379 0.03286 1.00000
Pm3 Pm 0.42443 0.90761 0.24352 1.00000
Pm4 Pm 0.57557 0.09239 0.75648 1.00000
Pm5 Pm 0.69832 0.63621 0.96714 1.00000
Y1 Y 0.81639 0.89137 0.47585 1.00000
Y2 Y 0.25962 0.71028 0.77048 1.00000
Y3 Y 0.74038 0.28972 0.22952 1.00000
Y4 Y 0.18361 0.10863 0.52415 1.00000
Y5 Y 0.00000 0.00000 0.00000 1.00000
Ho1 Ho 0.91877 0.45251 0.70995 1.00000
Ho2 Ho 0.08123 0.54749 0.29005 1.00000
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