Cu2SbTe4
Alexandria ALEXAlex-ID: agm003458754 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_906_spg74
Sb2Te3 Te CuTe
2022-02-17 03:07:51.780907
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003458754).
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
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm003458754
data_agm003458754
_cell_length_a 7.81091
_cell_length_b 7.81241
_cell_length_c 8.41296
_cell_angle_alpha 120.16268
_cell_angle_beta 108.62307
_cell_angle_gamma 96.65387
_cell_volume 395.98186
_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 0.62502 0.37569 0.75654 1.00000
Cu2 Cu 0.61965 0.86841 0.24222 1.00000
Cu3 Cu 0.66395 0.41569 0.32187 1.00000
Cu4 Cu 0.09450 0.34338 0.68010 1.00000
Sb1 Sb 0.16351 0.66371 0.49982 1.00000
Sb2 Sb 0.10442 0.10441 0.99992 1.00000
Te1 Te 0.89020 0.17255 0.25930 1.00000
Te2 Te 0.38407 0.57609 0.26292 1.00000
Te3 Te 0.91253 0.63031 0.74164 1.00000
Te4 Te 0.80905 0.11353 0.66405 1.00000
Te5 Te 0.44905 0.14408 0.33457 1.00000
Te6 Te 0.31327 0.12180 0.73723 1.00000
Te7 Te 0.42435 0.62440 0.82761 1.00000
Te8 Te 0.79642 0.59595 0.17220 1.00000
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