Al6Bi7Au(SeCl3)8
Alexandria ALEXAlex-ID: agm011099587 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB6C7D8E24_0_spg1
AlBiSeCl4 AuSe Bi2Se3 Au
2025-01-08 03:10:09
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011099587).
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 agm011099587
data_agm011099587
_cell_length_a 11.46999
_cell_length_b 12.87210
_cell_length_c 13.49832
_cell_angle_alpha 111.16282
_cell_angle_beta 113.77031
_cell_angle_gamma 101.54084
_cell_volume 1555.18343
_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
Al1 Al 0.23384 0.39148 0.15280 1.00000
Al2 Al 0.76628 0.61051 0.84848 1.00000
Al3 Al 0.09423 0.40569 0.69427 1.00000
Al4 Al 0.90607 0.59690 0.30708 1.00000
Al5 Al 0.32802 0.09625 0.38795 1.00000
Al6 Al 0.67266 0.90589 0.61347 1.00000
Bi1 Bi 0.23958 0.14896 0.87708 1.00000
Bi2 Bi 0.76152 0.85375 0.12465 1.00000
Bi3 Bi 0.50056 0.00126 0.00070 1.00000
Bi4 Bi 0.08921 0.79620 0.73891 1.00000
Bi5 Bi 0.91179 0.20642 0.26254 1.00000
Bi6 Bi 0.34328 0.94378 0.64804 1.00000
Bi7 Bi 0.65759 0.05890 0.35347 1.00000
Au1 Au 0.99993 0.50088 0.00054 1.00000
Se1 Se 0.32985 0.78589 0.74498 1.00000
Se2 Se 0.67109 0.21667 0.25636 1.00000
Se3 Se 0.09121 0.94596 0.63224 1.00000
Se4 Se 0.90972 0.05687 0.36946 1.00000
Se5 Se 0.23246 0.99769 0.97982 1.00000
Se6 Se 0.76858 0.00483 0.02167 1.00000
Se7 Se 0.51583 0.84628 0.11994 1.00000
Se8 Se 0.48518 0.15635 0.88157 1.00000
Cl1 Cl 0.14269 0.08789 0.24605 1.00000
Cl2 Cl 0.85762 0.91362 0.75519 1.00000
Cl3 Cl 0.30409 0.12517 0.54626 1.00000
Cl4 Cl 0.69721 0.87781 0.45558 1.00000
Cl5 Cl 0.04996 0.23823 0.99017 1.00000
Cl6 Cl 0.95047 0.76362 0.01094 1.00000
Cl7 Cl 0.51187 0.23971 0.44215 1.00000
Cl8 Cl 0.48837 0.76235 0.55842 1.00000
Cl9 Cl 0.25376 0.35633 0.79478 1.00000
Cl10 Cl 0.74636 0.64595 0.20632 1.00000
Cl11 Cl 0.23583 0.55746 0.13272 1.00000
Cl12 Cl 0.76403 0.44444 0.86850 1.00000
Cl13 Cl 0.24683 0.42116 0.32193 1.00000
Cl14 Cl 0.75268 0.58048 0.67911 1.00000
Cl15 Cl 0.13003 0.58786 0.81959 1.00000
Cl16 Cl 0.87054 0.41473 0.18193 1.00000
Cl17 Cl 0.89075 0.27940 0.63005 1.00000
Cl18 Cl 0.10946 0.72333 0.37129 1.00000
Cl19 Cl 0.35392 0.92842 0.31437 1.00000
Cl20 Cl 0.64710 0.07384 0.68775 1.00000
Cl21 Cl 0.11177 0.40920 0.54134 1.00000
Cl22 Cl 0.88861 0.59360 0.46012 1.00000
Cl23 Cl 0.41190 0.36630 0.14330 1.00000
Cl24 Cl 0.58868 0.63627 0.85859 1.00000
