NbBiTe2
Alexandria ALEXAlex-ID: agm005802161 · 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
ABC2_9275_spg12
Bi NbTe2
2023-07-14 16:35:00.977433
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005802161).
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
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# CIF generated by HEAS from Alexandria entry agm005802161
data_agm005802161
_cell_length_a 3.81387
_cell_length_b 6.78205
_cell_length_c 9.67782
_cell_angle_alpha 94.15579
_cell_angle_beta 90.00000
_cell_angle_gamma 106.33029
_cell_volume 239.54054
_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
Nb1 Nb 0.08788 0.17577 0.95606 1.00000
Nb2 Nb 0.91212 0.82423 0.04394 1.00000
Bi1 Bi 0.65839 0.31678 0.45385 1.00000
Bi2 Bi 0.34161 0.68322 0.54615 1.00000
Te1 Te 0.69862 0.39724 0.13191 1.00000
Te2 Te 0.44246 0.88493 0.25793 1.00000
Te3 Te 0.55754 0.11507 0.74207 1.00000
Te4 Te 0.30138 0.60276 0.86809 1.00000
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