Pm4Sb2AsS
Alexandria ALEXAlex-ID: agm004828131 · 空间群: P2/m (#10)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D4_343_spg10
Pm3AsS2 Pm3As2S PmSb
2023-01-31 05:18:27.091745
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004828131).
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 agm004828131
data_agm004828131
_cell_length_a 4.31512
_cell_length_b 7.50982
_cell_length_c 7.46021
_cell_angle_alpha 70.66996
_cell_angle_beta 89.99972
_cell_angle_gamma 89.99968
_cell_volume 228.12579
_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 0.73247 0.75592 1.00000
Pm2 Pm 1.00000 0.26753 0.24408 1.00000
Pm3 Pm 0.50000 0.73277 0.25532 1.00000
Pm4 Pm 0.50000 0.26723 0.74468 1.00000
Sb1 Sb 0.00000 0.00000 1.00000 1.00000
Sb2 Sb 0.50000 0.00000 0.50000 1.00000
As1 As 0.00000 0.49999 0.50000 1.00000
S1 S 0.50000 0.50000 1.00000 1.00000
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