Ho2Cu3Pt
Alexandria ALEXAlex-ID: agm003427826 · 空间群: Fmmm (#69)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_769_spg69
Ho2Cu7 HoCu2 HoPt
2022-02-12 23:43:38.892938
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003427826).
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 agm003427826
data_agm003427826
_cell_length_a 5.51358
_cell_length_b 5.51358
_cell_length_c 8.63426
_cell_angle_alpha 112.51658
_cell_angle_beta 112.51658
_cell_angle_gamma 78.49800
_cell_volume 223.55662
_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
Ho1 Ho 0.75000 0.25000 0.50000 1.00000
Ho2 Ho 0.74754 0.25246 0.00000 1.00000
Ho3 Ho 0.25000 0.75000 0.50000 1.00000
Ho4 Ho 0.25246 0.74754 0.00000 1.00000
Cu1 Cu 0.83792 0.83792 0.16133 1.00000
Cu2 Cu 0.67659 0.67659 0.83867 1.00000
Cu3 Cu 0.16208 0.16208 0.83867 1.00000
Cu4 Cu 0.32341 0.32341 0.16133 1.00000
Cu5 Cu 0.16317 0.16317 0.32634 1.00000
Cu6 Cu 0.83683 0.83683 0.67366 1.00000
Pt1 Pt 0.66626 0.66626 0.33252 1.00000
Pt2 Pt 0.33374 0.33374 0.66748 1.00000
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