Pm8CuOs3Br4
Alexandria ALEXAlex-ID: agm004714868 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C4D8_64_spg12
Pm5Os2 Pm3OsBr3 PmCu2 PmOs2
2022-07-05 08:59:10.992928
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004714868).
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 agm004714868
data_agm004714868
_cell_length_a 8.21398
_cell_length_b 9.13834
_cell_length_c 8.21590
_cell_angle_alpha 116.74056
_cell_angle_beta 119.99228
_cell_angle_gamma 90.00000
_cell_volume 456.38593
_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 0.23833 0.69631 0.95801 1.00000
Pm2 Pm 0.23844 0.69654 0.47688 1.00000
Pm3 Pm 0.26659 0.29989 0.53318 1.00000
Pm4 Pm 0.71967 0.69631 0.95801 1.00000
Pm5 Pm 0.28033 0.30369 0.04199 1.00000
Pm6 Pm 0.73341 0.70011 0.46682 1.00000
Pm7 Pm 0.76156 0.30346 0.52312 1.00000
Pm8 Pm 0.76167 0.30369 0.04199 1.00000
Cu1 Cu 0.00000 0.50000 0.00000 1.00000
Os1 Os 0.50000 0.50000 0.00000 1.00000
Os2 Os 0.50000 0.50000 0.50000 1.00000
Os3 Os 0.00000 0.50000 0.50000 1.00000
Br1 Br 0.50000 0.00000 0.00000 1.00000
Br2 Br 0.50000 0.00000 0.50000 1.00000
Br3 Br 0.00000 0.00000 0.00000 1.00000
Br4 Br 0.00000 0.00000 0.50000 1.00000
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