Ba3Te2
Alexandria ALEXAlex-ID: agm005506124 · 空间群: Fdd2 (#43)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3_921_spg43
BaTe Ba
2023-03-20 13:23:53.426574
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005506124).
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 agm005506124
data_agm005506124
_cell_length_a 10.49656
_cell_length_b 8.96207
_cell_length_c 8.84800
_cell_angle_alpha 72.22014
_cell_angle_beta 54.39297
_cell_angle_gamma 53.38689
_cell_volume 542.06715
_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
Ba1 Ba 0.70942 0.89608 0.12742 1.00000
Ba2 Ba 0.26708 0.12742 0.89608 1.00000
Ba3 Ba 0.12258 0.98292 0.54058 1.00000
Ba4 Ba 0.35392 0.54058 0.98292 1.00000
Ba5 Ba 0.86578 0.63422 0.63422 1.00000
Ba6 Ba 0.61578 0.38422 0.38422 1.00000
Te1 Te 0.48679 0.73632 0.10596 1.00000
Te2 Te 0.67093 0.10596 0.73632 1.00000
Te3 Te 0.14404 0.57907 0.76321 1.00000
Te4 Te 0.51368 0.76321 0.57907 1.00000
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