Sc3CoNi2
Alexandria ALEXAlex-ID: agm018946504 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2128_spg14
Sc5CoNi4 Sc2CoNi
2025-01-06 23:58:10
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm018946504).
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 agm018946504
data_agm018946504
_cell_length_a 5.46599
_cell_length_b 8.91711
_cell_length_c 7.71969
_cell_angle_alpha 90.00000
_cell_angle_beta 90.08494
_cell_angle_gamma 90.00000
_cell_volume 376.26399
_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 0.33127 0.62295 0.91772 1.00000
Sc2 Sc 0.66873 0.12295 0.58228 1.00000
Sc3 Sc 0.66859 0.62701 0.58433 1.00000
Sc4 Sc 0.33141 0.12701 0.91567 1.00000
Sc5 Sc 0.99924 0.62507 0.24769 1.00000
Sc6 Sc 0.00076 0.12507 0.25231 1.00000
Sc7 Sc 0.99924 0.87493 0.74769 1.00000
Sc8 Sc 0.00076 0.37493 0.75231 1.00000
Sc9 Sc 0.66859 0.87299 0.08433 1.00000
Sc10 Sc 0.33141 0.37299 0.41567 1.00000
Sc11 Sc 0.33127 0.87705 0.41772 1.00000
Sc12 Sc 0.66873 0.37705 0.08228 1.00000
Co1 Co 0.83220 0.87513 0.41610 1.00000
Co2 Co 0.16780 0.37513 0.08390 1.00000
Co3 Co 0.83220 0.62487 0.91610 1.00000
Co4 Co 0.16780 0.12487 0.58390 1.00000
Ni1 Ni 0.50081 0.87444 0.75108 1.00000
Ni2 Ni 0.49919 0.37444 0.74892 1.00000
Ni3 Ni 0.16528 0.87478 0.08236 1.00000
Ni4 Ni 0.83472 0.37478 0.41764 1.00000
Ni5 Ni 0.16528 0.62522 0.58236 1.00000
Ni6 Ni 0.83472 0.12522 0.91764 1.00000
Ni7 Ni 0.50081 0.62556 0.25108 1.00000
Ni8 Ni 0.49919 0.12556 0.24892 1.00000
