Cu2BiTe3
Alexandria ALEXAlex-ID: agm005893224 · Space group: Cc (#9)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_128_spg9
Bi2Te3 Cu CuTe
2023-08-17 15:09:06.804995
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005893224).
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}
}
3D Crystal Structure Rendering
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# CIF generated by HEAS from Alexandria entry agm005893224
data_agm005893224
_cell_length_a 7.93750
_cell_length_b 7.93750
_cell_length_c 7.39630
_cell_angle_alpha 99.55407
_cell_angle_beta 99.55406
_cell_angle_gamma 122.47472
_cell_volume 368.99927
_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
Cu1 Cu 0.59906 0.44032 0.01302 1.00000
Cu2 Cu 0.74808 0.26812 0.51383 1.00000
Cu3 Cu 0.44032 0.59906 0.51302 1.00000
Cu4 Cu 0.26812 0.74808 0.01383 1.00000
Bi1 Bi 0.09909 0.92047 0.47891 1.00000
Bi2 Bi 0.92047 0.09909 0.97891 1.00000
Te1 Te 0.04682 0.27669 0.40362 1.00000
Te2 Te 0.27669 0.04682 0.90362 1.00000
Te3 Te 0.87700 0.43249 0.88087 1.00000
Te4 Te 0.43249 0.87700 0.38087 1.00000
Te5 Te 0.51233 0.67456 0.88102 1.00000
Te6 Te 0.67456 0.51233 0.38102 1.00000
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