ThSc(CoSb)2
Alexandria ALEXAlex-ID: agm012767566 · Space group: R3m (#160)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D2_471_spg160
ScCoSb ThCoSb
2025-03-23 07:41:47
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm012767566).
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 agm012767566
data_agm012767566
_cell_length_a 7.84267
_cell_length_b 7.84267
_cell_length_c 7.84267
_cell_angle_alpha 32.83341
_cell_angle_beta 32.83341
_cell_angle_gamma 32.83341
_cell_volume 126.16524
_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
Th1 Th 0.66803 0.66803 0.66803 1.00000
Sc1 Sc 0.16697 0.16697 0.16697 1.00000
Co1 Co 0.79173 0.79173 0.79173 1.00000
Co2 Co 0.28761 0.28761 0.28761 1.00000
Sb1 Sb 0.90923 0.90923 0.90923 1.00000
Sb2 Sb 0.42693 0.42693 0.42693 1.00000
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