Bi8Te4Au
Alexandria ALEXAlex-ID: agm098104292 · 空间群: C2 (#5)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C8_16_spg12
Bi4Te3 Bi2Au Bi
2025-06-19 17:16:29
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm098104292).
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 agm098104292
data_agm098104292
_cell_length_a 6.09670
_cell_length_b 9.35088
_cell_length_c 9.33375
_cell_angle_alpha 60.09086
_cell_angle_beta 90.02027
_cell_angle_gamma 84.00000
_cell_volume 457.86694
_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
Bi1 Bi 0.64998 0.14346 0.17791 1.00000
Bi2 Bi 0.66357 0.65361 0.19187 1.00000
Bi3 Bi 0.64066 0.63660 0.69580 1.00000
Bi4 Bi 0.72149 0.20945 0.63088 1.00000
Bi5 Bi 0.35051 0.85683 0.32125 1.00000
Bi6 Bi 0.35871 0.36304 0.33266 1.00000
Bi7 Bi 0.33596 0.34592 0.84568 1.00000
Bi8 Bi 0.27842 0.79079 0.84019 1.00000
Te1 Te 0.00011 0.00004 0.03318 1.00000
Te2 Te 0.97250 0.49918 0.99344 1.00000
Te3 Te 0.02741 0.50110 0.49259 1.00000
Te4 Te 0.00005 0.00016 0.51669 1.00000
Au1 Au 0.50064 0.99981 0.92786 1.00000
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