CoSb6Pd
Alexandria ALEXAlex-ID: agm005803695 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC6_89_spg12
Sb2Pd CoSb3 Sb
2023-07-24 18:38:17.473186
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005803695).
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 agm005803695
data_agm005803695
_cell_length_a 8.12030
_cell_length_b 8.12030
_cell_length_c 8.04883
_cell_angle_alpha 109.33739
_cell_angle_beta 109.38657
_cell_angle_gamma 110.04549
_cell_volume 406.74123
_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 0.50000 0.00000 1.00000
Co2 Co 0.50000 0.00000 0.00000 1.00000
Sb1 Sb 0.15984 0.67097 0.83081 1.00000
Sb2 Sb 0.84016 0.32903 0.16919 1.00000
Sb3 Sb 0.84662 0.65014 0.49675 1.00000
Sb4 Sb 0.15338 0.34986 0.50325 1.00000
Sb5 Sb 0.81821 0.16678 0.66986 1.00000
Sb6 Sb 0.18179 0.83322 0.33014 1.00000
Sb7 Sb 0.50308 0.85165 0.66986 1.00000
Sb8 Sb 0.49692 0.14835 0.33014 1.00000
Sb9 Sb 0.65079 0.81813 0.14634 1.00000
Sb10 Sb 0.34921 0.18187 0.85366 1.00000
Sb11 Sb 0.67179 0.50445 0.85366 1.00000
Sb12 Sb 0.32821 0.49555 0.14634 1.00000
Pd1 Pd 0.00000 0.00000 0.50000 1.00000
Pd2 Pd 0.50000 0.50000 0.50000 1.00000
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