CuSbS2
Alexandria ALEXAlex-ID: agm002181591 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_144_spg15
CuSbS2
2018-06-01 07:33:15
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002181591).
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 agm002181591
data_agm002181591
_cell_length_a 5.94451
_cell_length_b 5.91115
_cell_length_c 7.54794
_cell_angle_alpha 121.34055
_cell_angle_beta 118.33029
_cell_angle_gamma 79.85966
_cell_volume 198.51015
_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
Sb1 Sb 0.99694 0.97073 0.00775 1.00000
Sb2 Sb 0.75306 0.27927 0.49225 1.00000
S1 S 0.18437 0.22420 0.49904 1.00000
S2 S 0.74345 0.72652 0.52984 1.00000
S3 S 0.56563 0.02580 0.00096 1.00000
S4 S 0.00655 0.52348 0.97016 1.00000
Cu1 Cu 0.32948 0.31492 0.90626 1.00000
Cu2 Cu 0.42052 0.93508 0.59374 1.00000
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