Pm4Y3Ho4
Alexandria ALEXAlex-ID: agm005694487 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B4C4_105_spg12
Pm5Y Pm3Ho5 PmY2
2023-07-02 03:07:33.746182
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005694487).
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
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# CIF generated by HEAS from Alexandria entry agm005694487
data_agm005694487
_cell_length_a 3.59584
_cell_length_b 5.60611
_cell_length_c 18.29652
_cell_angle_alpha 81.17335
_cell_angle_beta 84.44711
_cell_angle_gamma 89.99800
_cell_volume 362.71414
_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 0.55498 0.55166 0.89581 1.00000
Pm2 Pm 0.44501 0.44834 0.10415 1.00000
Pm3 Pm 0.32122 0.82287 0.35441 1.00000
Pm4 Pm 0.67874 0.17709 0.64561 1.00000
Y1 Y 0.14838 0.64552 0.70861 1.00000
Y2 Y 0.85158 0.35443 0.29143 1.00000
Y3 Y 0.99999 1.00000 0.99997 1.00000
Ho1 Ho 0.09506 0.09185 0.81559 1.00000
Ho2 Ho 0.26460 0.26501 0.46994 1.00000
Ho3 Ho 0.73537 0.73497 0.53005 1.00000
Ho4 Ho 0.90492 0.90812 0.18441 1.00000
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