PmHoCu4
Alexandria ALEXAlex-ID: agm005761982 · 空间群: Imm2 (#44)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC4_1388_spg71
PmCu2 HoCu2
2023-07-28 03:32:25.756075
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005761982).
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}
}
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# CIF generated by HEAS from Alexandria entry agm005761982
data_agm005761982
_cell_length_a 4.31022
_cell_length_b 5.50106
_cell_length_c 5.50106
_cell_angle_alpha 78.12099
_cell_angle_beta 66.93576
_cell_angle_gamma 66.93576
_cell_volume 110.20430
_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 0.54427 0.45573 0.45573 1.00000
Ho1 Ho 0.46024 0.03976 0.03976 1.00000
Cu1 Cu 0.16359 0.64040 0.03242 1.00000
Cu2 Cu 0.83416 0.86655 0.46513 1.00000
Cu3 Cu 0.83416 0.46513 0.86655 1.00000
Cu4 Cu 0.16359 0.03242 0.64040 1.00000
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