SrTh2Bi3
Alexandria ALEXAlex-ID: agm034985180 · 空间群: Fddd (#70)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_2914_spg15
SrTh2Bi3
2025-04-15 10:00:42
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034985180).
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 agm034985180
data_agm034985180
_cell_length_a 15.45231
_cell_length_b 14.73650
_cell_length_c 8.08338
_cell_angle_alpha 79.42278
_cell_angle_beta 69.63124
_cell_angle_gamma 30.94598
_cell_volume 861.75527
_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
Sr1 Sr 0.91698 0.91698 0.08302 1.00000
Sr2 Sr 0.33302 0.33302 0.16698 1.00000
Sr3 Sr 0.16698 0.16698 0.33302 1.00000
Sr4 Sr 0.08302 0.08302 0.91698 1.00000
Th1 Th 0.00145 0.00145 0.49855 1.00000
Th2 Th 0.41479 0.41479 0.58521 1.00000
Th3 Th 0.83521 0.83521 0.66479 1.00000
Th4 Th 0.24855 0.24855 0.75145 1.00000
Th5 Th 0.75145 0.75145 0.24855 1.00000
Th6 Th 0.66479 0.66479 0.83521 1.00000
Th7 Th 0.58521 0.58521 0.41479 1.00000
Th8 Th 0.49855 0.49855 0.00145 1.00000
Bi1 Bi 0.66910 0.16782 0.82317 1.00000
Bi2 Bi 0.16782 0.66910 0.33991 1.00000
Bi3 Bi 0.58090 0.08218 0.42683 1.00000
Bi4 Bi 0.08218 0.58090 0.91009 1.00000
Bi5 Bi 0.51090 0.98910 0.98910 1.00000
Bi6 Bi 0.98910 0.51090 0.51090 1.00000
Bi7 Bi 0.91009 0.42683 0.08218 1.00000
Bi8 Bi 0.42683 0.91009 0.58090 1.00000
Bi9 Bi 0.33991 0.82317 0.16782 1.00000
Bi10 Bi 0.82317 0.33991 0.66910 1.00000
Bi11 Bi 0.73910 0.26090 0.26090 1.00000
Bi12 Bi 0.26090 0.73910 0.73910 1.00000
