Tm6Bi3SbTe2
Alexandria ALEXAlex-ID: agm034360073 · 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
Tm4Bi3Te Tm2SbTe
2025-01-06 23:31:53
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034360073).
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}
}
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# CIF generated by HEAS from Alexandria entry agm034360073
data_agm034360073
_cell_length_a 9.77280
_cell_length_b 9.77280
_cell_length_c 8.72406
_cell_angle_alpha 77.24513
_cell_angle_beta 102.75487
_cell_angle_gamma 154.01763
_cell_volume 355.53321
_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 0.33628 0.66372 0.92019 1.00000
Tm2 Tm 0.66526 0.33474 0.58529 1.00000
Tm3 Tm 0.66372 0.33628 0.07981 1.00000
Tm4 Tm 0.99867 0.00133 0.24349 1.00000
Tm5 Tm 0.00133 0.99867 0.75651 1.00000
Tm6 Tm 0.33474 0.66526 0.41471 1.00000
Bi1 Bi 0.50000 0.50000 0.50000 1.00000
Bi2 Bi 0.83135 0.16865 0.16631 1.00000
Bi3 Bi 0.16865 0.83135 0.83369 1.00000
Sb1 Sb 0.50000 0.50000 0.00000 1.00000
Te1 Te 0.83301 0.16699 0.66528 1.00000
Te2 Te 0.16699 0.83301 0.33472 1.00000
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