Pa2Bi3Rh
Alexandria ALEXAlex-ID: agm005752899 · 空间群: Pnma (#62)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_2603_spg62
Pa3Bi4Rh3 Pa2BiRh2 PaBi2
2023-08-24 17:50:01.809023
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005752899).
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 agm005752899
data_agm005752899
_cell_length_a 4.53108
_cell_length_b 10.93374
_cell_length_c 13.18191
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 653.05371
_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
Pa1 Pa 0.25000 0.63826 0.50510 1.00000
Pa2 Pa 0.75000 0.36174 0.49490 1.00000
Pa3 Pa 0.75000 0.13826 0.99490 1.00000
Pa4 Pa 0.25000 0.86174 0.00510 1.00000
Pa5 Pa 0.25000 0.98850 0.33051 1.00000
Pa6 Pa 0.75000 0.01150 0.66949 1.00000
Pa7 Pa 0.75000 0.48850 0.16949 1.00000
Pa8 Pa 0.25000 0.51150 0.83051 1.00000
Bi1 Bi 0.25000 0.35095 0.03751 1.00000
Bi2 Bi 0.75000 0.64905 0.96249 1.00000
Bi3 Bi 0.75000 0.85095 0.46249 1.00000
Bi4 Bi 0.25000 0.14905 0.53751 1.00000
Bi5 Bi 0.25000 0.69187 0.24845 1.00000
Bi6 Bi 0.75000 0.30813 0.75155 1.00000
Bi7 Bi 0.75000 0.19187 0.25155 1.00000
Bi8 Bi 0.25000 0.80813 0.74845 1.00000
Bi9 Bi 0.25000 0.40328 0.32718 1.00000
Bi10 Bi 0.75000 0.59672 0.67282 1.00000
Bi11 Bi 0.75000 0.90328 0.17282 1.00000
Bi12 Bi 0.25000 0.09672 0.82718 1.00000
Rh1 Rh 0.25000 0.08215 0.11587 1.00000
Rh2 Rh 0.75000 0.91785 0.88413 1.00000
Rh3 Rh 0.75000 0.58215 0.38413 1.00000
Rh4 Rh 0.25000 0.41785 0.61587 1.00000
