InCo3Sb5
Alexandria ALEXAlex-ID: agm048489289 · Space group: P2/m (#10)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C5_543_spg10
CoSb CoSb3 In
2024-12-08 06:55:13
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm048489289).
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 agm048489289
data_agm048489289
_cell_length_a 6.43964
_cell_length_b 3.30709
_cell_length_c 17.35818
_cell_angle_alpha 90.00000
_cell_angle_beta 91.00967
_cell_angle_gamma 90.00000
_cell_volume 369.61114
_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
In1 In 0.65091 0.00000 0.73652 1.00000
In2 In 0.34909 0.00000 0.26348 1.00000
Co1 Co 0.00000 0.00000 0.00000 1.00000
Co2 Co 0.98334 0.00000 0.33676 1.00000
Co3 Co 0.01666 0.00000 0.66324 1.00000
Co4 Co 0.50997 0.50000 0.15868 1.00000
Co5 Co 0.50000 0.50000 0.50000 1.00000
Co6 Co 0.49003 0.50000 0.84132 1.00000
Sb1 Sb 0.85112 0.50000 0.23397 1.00000
Sb2 Sb 0.85446 0.50000 0.89881 1.00000
Sb3 Sb 0.85940 0.50000 0.56761 1.00000
Sb4 Sb 0.64732 0.00000 0.06401 1.00000
Sb5 Sb 0.63755 0.00000 0.40257 1.00000
Sb6 Sb 0.36245 0.00000 0.59743 1.00000
Sb7 Sb 0.35268 0.00000 0.93599 1.00000
Sb8 Sb 0.14554 0.50000 0.10119 1.00000
Sb9 Sb 0.14060 0.50000 0.43239 1.00000
Sb10 Sb 0.14888 0.50000 0.76603 1.00000
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