Pm2BS5
Alexandria ALEXAlex-ID: agm003470141 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C5_193_spg107
Pm2S3 BS2
2022-03-23 12:45:41.458392
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003470141).
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 agm003470141
data_agm003470141
_cell_length_a 6.53221
_cell_length_b 6.54204
_cell_length_c 6.03140
_cell_angle_alpha 117.72612
_cell_angle_beta 127.24577
_cell_angle_gamma 90.67221
_cell_volume 165.13701
_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 0.24146 0.72648 0.51034 1.00000
Pm2 Pm 0.78408 0.26887 0.51034 1.00000
B1 B 0.90435 0.01590 0.91993 1.00000
S1 S 0.66251 0.19917 0.86199 1.00000
S2 S 0.23773 0.26298 0.12971 1.00000
S3 S 0.86644 0.89215 0.12947 1.00000
S4 S 0.29254 0.69743 0.99070 1.00000
S5 S 0.78791 0.71401 0.50153 1.00000
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