Pm5Cu5Ir2
Alexandria ALEXAlex-ID: agm005666095 · 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
A2B5C5_19_spg12
Pm2CuIr PmCu5 PmCu2
2023-06-18 22:58:03.634803
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005666095).
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 agm005666095
data_agm005666095
_cell_length_a 4.22408
_cell_length_b 7.77073
_cell_length_c 8.61448
_cell_angle_alpha 87.09728
_cell_angle_beta 75.80792
_cell_angle_gamma 74.22893
_cell_volume 263.77503
_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 0.00000 0.50000 0.50000 1.00000
Pm2 Pm 0.69446 0.69068 0.92041 1.00000
Pm3 Pm 0.37683 0.91949 0.32685 1.00000
Pm4 Pm 0.62317 0.08051 0.67315 1.00000
Pm5 Pm 0.30554 0.30932 0.07959 1.00000
Cu1 Cu 0.72456 0.21323 0.33765 1.00000
Cu2 Cu 0.94129 0.28633 0.83109 1.00000
Cu3 Cu 0.05871 0.71367 0.16891 1.00000
Cu4 Cu 0.27544 0.78677 0.66235 1.00000
Cu5 Cu 0.00000 0.00000 0.00000 1.00000
Ir1 Ir 0.38908 0.46426 0.75758 1.00000
Ir2 Ir 0.61092 0.53574 0.24242 1.00000
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