Sc3(Co4B3)2
Alexandria ALEXAlex-ID: agm008197353 · Space group: Fmmm (#69)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B6C8_0_spg69
Sc3(Co4B3)2
2024-03-10 02:37:18.553996
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008197353).
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 agm008197353
data_agm008197353
_cell_length_a 9.39043
_cell_length_b 8.72223
_cell_length_c 4.91058
_cell_angle_alpha 81.93994
_cell_angle_beta 66.87738
_cell_angle_gamma 31.18269
_cell_volume 174.58726
_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 0.00000 0.00000 0.00000 1.00000
Sc2 Sc 0.82263 0.82263 0.17737 1.00000
Sc3 Sc 0.17737 0.17737 0.82263 1.00000
Co1 Co 0.57837 0.57837 0.42163 1.00000
Co2 Co 0.90630 0.90630 0.59370 1.00000
Co3 Co 0.40630 0.40630 0.09370 1.00000
Co4 Co 0.59370 0.59370 0.90630 1.00000
Co5 Co 0.42163 0.42163 0.57837 1.00000
Co6 Co 0.25000 0.25000 0.25000 1.00000
Co7 Co 0.09370 0.09370 0.40630 1.00000
Co8 Co 0.75000 0.75000 0.75000 1.00000
B1 B 0.18991 0.45751 0.54249 1.00000
B2 B 0.81009 0.54249 0.45751 1.00000
B3 B 0.54249 0.81009 0.18991 1.00000
B4 B 0.31642 0.68358 0.31642 1.00000
B5 B 0.45751 0.18991 0.81009 1.00000
B6 B 0.68358 0.31642 0.68358 1.00000
Get direct link