PmSbAuO
Alexandria ALEXAlex-ID: agm005216634 · 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
ABCD_1526_spg166
SbAu Pm3Sb4Au3 Pm2O3 Au
2022-07-10 16:07:07.245405
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005216634).
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 agm005216634
data_agm005216634
_cell_length_a 4.01939
_cell_length_b 4.01939
_cell_length_c 13.04315
_cell_angle_alpha 81.13652
_cell_angle_beta 81.13652
_cell_angle_gamma 60.00000
_cell_volume 179.57637
_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 0.12877 0.12877 0.61370 1.00000
Pm2 Pm 0.87123 0.87123 0.38630 1.00000
Sb1 Sb 0.69045 0.69045 0.92866 1.00000
Sb2 Sb 0.30955 0.30955 0.07134 1.00000
Au1 Au 0.59446 0.59446 0.21662 1.00000
Au2 Au 0.40554 0.40554 0.78338 1.00000
O1 O 0.81032 0.81032 0.56904 1.00000
O2 O 0.18968 0.18968 0.43096 1.00000
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