AcPmBiS
Alexandria ALEXAlex-ID: agm005204069 · 空间群: P4/nmm (#129)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABCD_1467_spg129
PmS AcBi
2022-07-10 18:47:32.269272
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005204069).
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 agm005204069
data_agm005204069
_cell_length_a 5.11214
_cell_length_b 5.11214
_cell_length_c 10.45282
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 273.17327
_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
Ac1 Ac 0.00000 0.50000 0.86139 1.00000
Ac2 Ac 0.50000 0.00000 0.13861 1.00000
Pm1 Pm 0.00000 0.00000 0.50000 1.00000
Pm2 Pm 0.50000 0.50000 0.50000 1.00000
Bi1 Bi 0.50000 0.00000 0.69021 1.00000
Bi2 Bi 0.00000 0.50000 0.30979 1.00000
S1 S 0.50000 0.50000 0.00000 1.00000
S2 S 0.00000 0.00000 0.00000 1.00000
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