Sc4CoNi
Alexandria ALEXAlex-ID: agm013636098 · Space group: I422 (#97)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_97_spg44
Sc3Co ScNi
2025-04-15 21:41:57
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm013636098).
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 agm013636098
data_agm013636098
_cell_length_a 5.30003
_cell_length_b 5.30003
_cell_length_c 5.30003
_cell_angle_alpha 106.08564
_cell_angle_beta 106.08564
_cell_angle_gamma 116.47788
_cell_volume 113.30726
_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 0.07327 0.57327 0.14654 1.00000
Sc2 Sc 0.42673 0.92673 0.85346 1.00000
Sc3 Sc 0.57327 0.42673 0.50000 1.00000
Sc4 Sc 0.92673 0.07327 0.50000 1.00000
Co1 Co 0.50000 0.50000 0.00000 1.00000
Ni1 Ni 0.00000 0.00000 0.00000 1.00000
