Co3Sb5As
Alexandria ALEXAlex-ID: agm005963379 · Space group: P2/m (#10)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C5_13_spg10
CoSbAs CoSb3 CoSb
2023-07-31 19:11:02.131441
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005963379).
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 agm005963379
data_agm005963379
_cell_length_a 3.38843
_cell_length_b 6.33780
_cell_length_c 16.50849
_cell_angle_alpha 90.70482
_cell_angle_beta 90.00220
_cell_angle_gamma 89.99968
_cell_volume 354.49656
_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 0.00000 0.00000 0.00000 1.00000
Co2 Co 0.00007 0.01272 0.66924 1.00000
Co3 Co 0.99993 0.98728 0.33076 1.00000
Co4 Co 0.50006 0.48990 0.82454 1.00000
Co5 Co 0.50000 0.50000 0.50000 1.00000
Co6 Co 0.49994 0.51010 0.17546 1.00000
Sb1 Sb 0.50013 0.85535 0.76463 1.00000
Sb2 Sb 0.50003 0.85609 0.10052 1.00000
Sb3 Sb 0.49998 0.85331 0.43228 1.00000
Sb4 Sb 0.00007 0.63984 0.92995 1.00000
Sb5 Sb 0.00006 0.63801 0.60409 1.00000
Sb6 Sb 0.99994 0.36199 0.39591 1.00000
Sb7 Sb 0.99993 0.36016 0.07005 1.00000
Sb8 Sb 0.49997 0.14391 0.89948 1.00000
Sb9 Sb 0.50002 0.14669 0.56772 1.00000
Sb10 Sb 0.49987 0.14465 0.23537 1.00000
As1 As 0.99994 0.64263 0.26636 1.00000
As2 As 0.00006 0.35737 0.73364 1.00000
Get direct link