Pm2Y3Ho
Alexandria ALEXAlex-ID: agm005584166 · 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
AB2C3_906_spg65
Pm2Ho7 Pm3Ho5 PmY2
2023-08-25 10:31:36.211313
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005584166).
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 agm005584166
data_agm005584166
_cell_length_a 5.57016
_cell_length_b 8.93757
_cell_length_c 12.55150
_cell_angle_alpha 42.14176
_cell_angle_beta 77.17979
_cell_angle_gamma 71.84341
_cell_volume 398.34404
_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 0.89396 0.54771 0.66436 1.00000
Pm2 Pm 0.10604 0.45229 0.33564 1.00000
Pm3 Pm 0.59399 0.22397 0.58805 1.00000
Pm4 Pm 0.40601 0.77603 0.41195 1.00000
Y1 Y 0.08440 0.93986 0.89134 1.00000
Y2 Y 0.91560 0.06014 0.10866 1.00000
Y3 Y 0.72132 0.64790 0.90947 1.00000
Y4 Y 0.27868 0.35210 0.09053 1.00000
Y5 Y 0.74837 0.15639 0.34687 1.00000
Y6 Y 0.25163 0.84361 0.65313 1.00000
Ho1 Ho 0.44155 0.27107 0.84584 1.00000
Ho2 Ho 0.55845 0.72893 0.15416 1.00000
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