ScCo7B5
Alexandria ALEXAlex-ID: agm003679535 · Space group: Imm2 (#44)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C7_34_spg44
ScCo3B2 CoB Co
2022-04-10 05:54:13.965354
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003679535).
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 agm003679535
data_agm003679535
_cell_length_a 4.42970
_cell_length_b 5.60513
_cell_length_c 5.60513
_cell_angle_alpha 81.74091
_cell_angle_beta 66.72486
_cell_angle_gamma 66.72486
_cell_volume 117.42722
_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
Sc1 Sc 0.01000 0.99000 0.99000 1.00000
Co1 Co 0.67311 0.32689 0.32689 1.00000
Co2 Co 0.35199 0.64801 0.64801 1.00000
Co3 Co 0.96230 0.37707 0.69833 1.00000
Co4 Co 0.96230 0.69833 0.37707 1.00000
Co5 Co 0.26338 0.23662 0.23662 1.00000
Co6 Co 0.52747 0.76583 0.17923 1.00000
Co7 Co 0.52747 0.17923 0.76583 1.00000
B1 B 0.45764 0.99928 0.50279 1.00000
B2 B 0.04029 0.99928 0.50279 1.00000
B3 B 0.45764 0.50279 0.99928 1.00000
B4 B 0.04029 0.50279 0.99928 1.00000
B5 B 0.72612 0.77388 0.77388 1.00000
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