Pm3(BiBr)2
Alexandria ALEXAlex-ID: agm003304547 · 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
A2B2C3_29_spg12
Pm5Bi3 PmBr3 PmBi
2022-01-23 05:04:29.038265
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003304547).
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 agm003304547
data_agm003304547
_cell_length_a 4.45250
_cell_length_b 7.27445
_cell_length_c 7.91118
_cell_angle_alpha 99.63968
_cell_angle_beta 89.94796
_cell_angle_gamma 107.81925
_cell_volume 240.15575
_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 0.00000 0.00000 1.00000
Pm2 Pm 0.74740 0.49553 0.27131 1.00000
Pm3 Pm 0.25260 0.50447 0.72869 1.00000
Bi1 Bi 0.89416 0.78702 0.62112 1.00000
Bi2 Bi 0.10584 0.21298 0.37888 1.00000
Br1 Br 0.63152 0.26277 0.89611 1.00000
Br2 Br 0.36848 0.73723 0.10389 1.00000
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