Sc2ZnGa2Co5
Alexandria ALEXAlex-ID: agm005140597 · Space group: P4/mbm (#127)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D5_50_spg127
Sc6Ga7Co16 Sc3ZnCo8 ScGaCo2 Sc(Zn10Co)2
2022-07-15 03:42:14.068213
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005140597).
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 agm005140597
data_agm005140597
_cell_length_a 3.37430
_cell_length_b 9.07494
_cell_length_c 9.07494
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 277.88835
_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 0.67092 0.17092 1.00000
Sc2 Sc 0.00000 0.32908 0.82908 1.00000
Sc3 Sc 0.00000 0.17092 0.32908 1.00000
Sc4 Sc 0.00000 0.82908 0.67092 1.00000
Zn1 Zn 0.00000 0.00000 0.00000 1.00000
Zn2 Zn 0.00000 0.50000 0.50000 1.00000
Ga1 Ga 0.00000 0.12706 0.62706 1.00000
Ga2 Ga 0.00000 0.87294 0.37294 1.00000
Ga3 Ga 0.00000 0.62706 0.87294 1.00000
Ga4 Ga 0.00000 0.37294 0.12706 1.00000
Co1 Co 0.50000 0.19741 0.06185 1.00000
Co2 Co 0.50000 0.80259 0.93815 1.00000
Co3 Co 0.50000 0.06185 0.80259 1.00000
Co4 Co 0.50000 0.69741 0.43815 1.00000
Co5 Co 0.50000 0.93815 0.19741 1.00000
Co6 Co 0.50000 0.30259 0.56185 1.00000
Co7 Co 0.50000 0.56185 0.69741 1.00000
Co8 Co 0.50000 0.43815 0.30259 1.00000
Co9 Co 0.50000 0.50000 0.00000 1.00000
Co10 Co 0.50000 0.00000 0.50000 1.00000
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