AcPmGeBr
Alexandria ALEXAlex-ID: agm005191265 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABCD_20_spg166
Pm4Ge3 Ac3GeBr3 AcBr3 Ac
2022-07-10 12:14:55.292022
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005191265).
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 agm005191265
data_agm005191265
_cell_length_a 4.51384
_cell_length_b 4.51384
_cell_length_c 16.67208
_cell_angle_alpha 82.21992
_cell_angle_beta 82.21992
_cell_angle_gamma 60.00000
_cell_volume 290.56289
_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 0.63221 0.63221 0.10337 1.00000
Ac2 Ac 0.36779 0.36779 0.89663 1.00000
Pm1 Pm 0.19495 0.19495 0.41515 1.00000
Pm2 Pm 0.80505 0.80505 0.58485 1.00000
Ge1 Ge 0.00000 0.00000 0.00000 1.00000
Ge2 Ge 0.50000 0.50000 0.50000 1.00000
Br1 Br 0.74405 0.74405 0.76784 1.00000
Br2 Br 0.25595 0.25595 0.23216 1.00000
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