Co3Cu3Te8
Alexandria ALEXAlex-ID: agm009707476 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B3C8_4_spg166
CuTe Cu CoTe2
2024-05-11 01:42:25.711357
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009707476).
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 agm009707476
data_agm009707476
_cell_length_a 7.71432
_cell_length_b 7.71432
_cell_length_c 7.71432
_cell_angle_alpha 59.30526
_cell_angle_beta 59.30526
_cell_angle_gamma 59.30526
_cell_volume 319.48681
_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
Co1 Co 0.50000 0.00000 0.00000 1.00000
Co2 Co 0.00000 0.00000 0.50000 1.00000
Co3 Co 0.00000 0.50000 0.00000 1.00000
Cu1 Cu 0.62593 0.62593 0.62593 1.00000
Cu2 Cu 0.37407 0.37407 0.37407 1.00000
Cu3 Cu 0.00000 0.00000 0.00000 1.00000
Te1 Te 0.23692 0.23692 0.23692 1.00000
Te2 Te 0.78538 0.24468 0.24468 1.00000
Te3 Te 0.24468 0.24468 0.78538 1.00000
Te4 Te 0.24468 0.78538 0.24468 1.00000
Te5 Te 0.76308 0.76308 0.76308 1.00000
Te6 Te 0.21462 0.75532 0.75532 1.00000
Te7 Te 0.75532 0.75532 0.21462 1.00000
Te8 Te 0.75532 0.21462 0.75532 1.00000
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