Ac6Bi3Te2Pb
Alexandria ALEXAlex-ID: agm004615207 · 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
AB2C3D6_28_spg12
Ac5Pb4 Ac6Bi5Te Ac3Pb4 Ac4BiTe2Pb
2022-06-30 06:48:16.766296
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004615207).
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 agm004615207
data_agm004615207
_cell_length_a 4.84506
_cell_length_b 9.67452
_cell_length_c 10.81148
_cell_angle_alpha 102.83512
_cell_angle_beta 102.94819
_cell_angle_gamma 90.00000
_cell_volume 480.88579
_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 0.33593 0.92167 0.67187 1.00000
Ac2 Ac 0.66493 0.58538 0.32986 1.00000
Ac3 Ac 0.66407 0.07833 0.32813 1.00000
Ac4 Ac 0.99916 0.24488 0.99832 1.00000
Ac5 Ac 0.00084 0.75512 0.00168 1.00000
Ac6 Ac 0.33507 0.41462 0.67014 1.00000
Bi1 Bi 0.50000 0.50000 0.00000 1.00000
Bi2 Bi 0.83090 0.16820 0.66180 1.00000
Bi3 Bi 0.16910 0.83180 0.33820 1.00000
Te1 Te 0.83198 0.66420 0.66397 1.00000
Te2 Te 0.16802 0.33580 0.33603 1.00000
Pb1 Pb 0.50000 0.00000 0.00000 1.00000
获取直接链接