CePmHo3
Alexandria ALEXAlex-ID: agm005804397 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC3_4822_spg12
Pm3Ho5 Pm2Ho7 Ce
2023-07-03 10:18:50.743254
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005804397).
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 agm005804397
data_agm005804397
_cell_length_a 6.26449
_cell_length_b 9.54026
_cell_length_c 8.40871
_cell_angle_alpha 136.60590
_cell_angle_beta 68.21127
_cell_angle_gamma 109.39419
_cell_volume 319.05490
_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
Ce1 Ce 0.98492 0.04957 0.73680 1.00000
Ce2 Ce 0.01508 0.95043 0.26320 1.00000
Pm1 Pm 0.61752 0.15475 0.25476 1.00000
Pm2 Pm 0.38248 0.84525 0.74524 1.00000
Ho1 Ho 0.41494 0.74620 0.24581 1.00000
Ho2 Ho 0.78882 0.65614 0.75506 1.00000
Ho3 Ho 0.82358 0.54869 0.24840 1.00000
Ho4 Ho 0.17642 0.45131 0.75160 1.00000
Ho5 Ho 0.58506 0.25380 0.75419 1.00000
Ho6 Ho 0.21118 0.34386 0.24494 1.00000
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