CoNiSb2
Alexandria ALEXAlex-ID: agm002818621 · Space group: I-42d (#122)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_7_spg122
NiSb CoSb
2016-03-19 05:12:08
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002818621).
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 agm002818621
data_agm002818621
_cell_length_a 6.07435
_cell_length_b 6.07435
_cell_length_c 6.48454
_cell_angle_alpha 62.07131
_cell_angle_beta 62.07131
_cell_angle_gamma 90.00000
_cell_volume 179.25005
_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 0.61991 0.12500 0.25000 1.00000
Sb2 Sb 0.13009 0.62500 0.25000 1.00000
Sb3 Sb 0.37500 0.38009 0.75000 1.00000
Sb4 Sb 0.87500 0.86991 0.75000 1.00000
Co1 Co 0.50000 0.50000 0.00000 1.00000
Co2 Co 0.25000 0.75000 0.50000 1.00000
Ni1 Ni 0.00000 0.00000 0.00000 1.00000
Ni2 Ni 0.75000 0.25000 0.50000 1.00000
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