Sc3CoRu2
Alexandria ALEXAlex-ID: agm005708316 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_570_spg65
Sc6CoRu5 Sc3Ru2 ScCo2
2023-08-24 18:43:16.277851
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005708316).
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 agm005708316
data_agm005708316
_cell_length_a 3.19235
_cell_length_b 4.50431
_cell_length_c 7.09611
_cell_angle_alpha 108.50447
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 96.76207
_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 0.50000 0.50000 0.00000 1.00000
Sc2 Sc 0.50000 0.83404 0.66809 1.00000
Sc3 Sc 0.50000 0.16596 0.33191 1.00000
Co1 Co 0.00000 0.00000 0.00000 1.00000
Ru1 Ru 0.00000 0.33498 0.66996 1.00000
Ru2 Ru 0.00000 0.66502 0.33004 1.00000
