PmPrSbS
Alexandria ALEXAlex-ID: agm005199721 · 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_1545_spg166
PrSb Pm4PrS5 PmPr3Sb4
2022-07-10 18:53:35.766740
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005199721).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm005199721
data_agm005199721
_cell_length_a 5.07540
_cell_length_b 5.07540
_cell_length_c 11.49436
_cell_angle_alpha 77.24527
_cell_angle_beta 77.24527
_cell_angle_gamma 60.00000
_cell_volume 247.95008
_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 0.62212 0.62212 0.13365 1.00000
Pm2 Pm 0.37788 0.37788 0.86635 1.00000
Pr1 Pr 0.79489 0.79489 0.61533 1.00000
Pr2 Pr 0.20511 0.20511 0.38467 1.00000
Sb1 Sb 0.10297 0.10297 0.69109 1.00000
Sb2 Sb 0.89703 0.89703 0.30891 1.00000
S1 S 0.70385 0.70385 0.88846 1.00000
S2 S 0.29615 0.29615 0.11154 1.00000
获取直接链接