Tm3Bi2Te
Alexandria ALEXAlex-ID: agm020495151 · 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_1824_spg62
Tm3Bi2Te
2024-12-04 16:18:10
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm020495151).
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 agm020495151
data_agm020495151
_cell_length_a 6.21923
_cell_length_b 8.76805
_cell_length_c 13.16568
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 717.93244
_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
Tm1 Tm 0.25000 0.12533 0.08429 1.00000
Tm2 Tm 0.25000 0.62533 0.41571 1.00000
Tm3 Tm 0.25000 0.12491 0.41643 1.00000
Tm4 Tm 0.25000 0.62491 0.08357 1.00000
Tm5 Tm 0.25000 0.12559 0.74932 1.00000
Tm6 Tm 0.25000 0.62559 0.75068 1.00000
Tm7 Tm 0.75000 0.37441 0.24932 1.00000
Tm8 Tm 0.75000 0.87441 0.25068 1.00000
Tm9 Tm 0.75000 0.37509 0.91643 1.00000
Tm10 Tm 0.75000 0.87509 0.58357 1.00000
Tm11 Tm 0.75000 0.37467 0.58429 1.00000
Tm12 Tm 0.75000 0.87467 0.91571 1.00000
Bi1 Bi 0.25000 0.37533 0.25021 1.00000
Bi2 Bi 0.25000 0.87533 0.24979 1.00000
Bi3 Bi 0.25000 0.37351 0.91684 1.00000
Bi4 Bi 0.25000 0.87351 0.58316 1.00000
Bi5 Bi 0.75000 0.12649 0.41684 1.00000
Bi6 Bi 0.75000 0.62649 0.08316 1.00000
Bi7 Bi 0.75000 0.12467 0.75021 1.00000
Bi8 Bi 0.75000 0.62467 0.74979 1.00000
Te1 Te 0.25000 0.37693 0.58323 1.00000
Te2 Te 0.25000 0.87693 0.91677 1.00000
Te3 Te 0.75000 0.12307 0.08323 1.00000
Te4 Te 0.75000 0.62307 0.41677 1.00000
