Pm6BiSb5
Alexandria ALEXAlex-ID: agm003678073 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB5C6_83_spg12
Pm4BiSb3 PmSb
2022-04-10 01:56:46.978589
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003678073).
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 agm003678073
data_agm003678073
_cell_length_a 7.80579
_cell_length_b 7.80569
_cell_length_c 7.80594
_cell_angle_alpha 60.00107
_cell_angle_beta 80.39661
_cell_angle_gamma 70.50863
_cell_volume 388.29166
_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 0.74779 0.08420 0.33686 1.00000
Pm2 Pm 0.25221 0.57895 0.33686 1.00000
Pm3 Pm 0.25118 0.25323 1.00000 1.00000
Pm4 Pm 0.74882 0.74677 0.00000 1.00000
Pm5 Pm 0.74779 0.42105 0.66314 1.00000
Pm6 Pm 0.25221 0.91580 0.66314 1.00000
Bi1 Bi 0.00000 0.00000 0.00000 1.00000
Sb1 Sb 0.50000 0.16547 0.66906 1.00000
Sb2 Sb 0.00000 0.33314 0.33372 1.00000
Sb3 Sb 0.50000 0.50000 0.00000 1.00000
Sb4 Sb 0.00000 0.66686 0.66628 1.00000
Sb5 Sb 0.50000 0.83453 0.33094 1.00000
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