Pm4YHo7
Alexandria ALEXAlex-ID: agm003665541 · 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
AB4C7_85_spg12
Pm2Ho7 Pm3Ho5 PmY2
2022-04-20 19:26:55.571560
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003665541).
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 agm003665541
data_agm003665541
_cell_length_a 5.90356
_cell_length_b 11.62812
_cell_length_c 6.73766
_cell_angle_alpha 83.64948
_cell_angle_beta 64.01717
_cell_angle_gamma 75.29464
_cell_volume 402.15351
_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 0.63904 0.22268 0.49923 1.00000
Pm2 Pm 0.36096 0.77732 0.50077 1.00000
Pm3 Pm 0.77123 0.67036 0.78718 1.00000
Pm4 Pm 0.22877 0.32964 0.21282 1.00000
Y1 Y 0.00000 0.00000 0.00000 1.00000
Ho1 Ho 0.78725 0.92332 0.50218 1.00000
Ho2 Ho 0.21275 0.07668 0.49782 1.00000
Ho3 Ho 0.06641 0.68462 0.18255 1.00000
Ho4 Ho 0.93359 0.31538 0.81745 1.00000
Ho5 Ho 0.36791 0.49626 0.76792 1.00000
Ho6 Ho 0.50000 0.00000 0.00000 1.00000
Ho7 Ho 0.63209 0.50374 0.23208 1.00000
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