YHoCu4
Alexandria ALEXAlex-ID: agm005759879 · 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
YCu2 HoCu2
2023-07-28 03:39:19.453216
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005759879).
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 agm005759879
data_agm005759879
_cell_length_a 4.28626
_cell_length_b 5.44865
_cell_length_c 5.44865
_cell_angle_alpha 77.69806
_cell_angle_beta 66.83799
_cell_angle_gamma 66.83798
_cell_volume 107.30606
_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
Y1 Y 0.45503 0.04497 0.04497 1.00000
Ho1 Ho 0.54390 0.45610 0.45610 1.00000
Cu1 Cu 0.16491 0.63698 0.03320 1.00000
Cu2 Cu 0.83563 0.86135 0.46739 1.00000
Cu3 Cu 0.83563 0.46739 0.86135 1.00000
Cu4 Cu 0.16491 0.03320 0.63698 1.00000
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