Pr3HoCu5
Alexandria ALEXAlex-ID: agm072820331 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C5_1093_spg1
HoCu2 PrCu
2024-09-24 05:39:02.412401
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072820331).
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 agm072820331
data_agm072820331
_cell_length_a 5.17774
_cell_length_b 5.29926
_cell_length_c 7.57206
_cell_angle_alpha 101.72028
_cell_angle_beta 100.82586
_cell_angle_gamma 91.97860
_cell_volume 199.23973
_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
Pr1 Pr 0.39859 0.42865 0.04919 1.00000
Pr2 Pr 0.05438 0.00418 0.51731 1.00000
Pr3 Pr 0.51412 0.55419 0.53111 1.00000
Ho1 Ho 0.91385 0.90536 0.03687 1.00000
Cu1 Cu 0.37621 0.88677 0.87259 1.00000
Cu2 Cu 0.03675 0.53230 0.71692 1.00000
Cu3 Cu 0.94814 0.42459 0.29896 1.00000
Cu4 Cu 0.48933 0.00096 0.25681 1.00000
Cu5 Cu 0.68304 0.17467 0.75659 1.00000
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