GaCoC
Alexandria ALEXAlex-ID: agm002044404 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_4165_spg8
GaCo C
2021-10-07 02:07:27
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002044404).
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 agm002044404
data_agm002044404
_cell_length_a 6.22900
_cell_length_b 2.92977
_cell_length_c 8.21176
_cell_angle_alpha 90.00000
_cell_angle_beta 105.55958
_cell_angle_gamma 90.00000
_cell_volume 144.36879
_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
C1 C 0.50261 0.00000 0.96677 1.00000
C2 C 0.50261 0.50000 0.46677 1.00000
C3 C 0.37065 0.00000 0.08336 1.00000
C4 C 0.37065 0.50000 0.58336 1.00000
Co1 Co 0.16311 0.00000 0.55998 1.00000
Co2 Co 0.16311 0.50000 0.05998 1.00000
Co3 Co 0.37919 0.00000 0.31252 1.00000
Co4 Co 0.37919 0.50000 0.81252 1.00000
Ga1 Ga 0.76073 0.00000 0.49798 1.00000
Ga2 Ga 0.76073 0.50000 0.99798 1.00000
Ga3 Ga 0.03329 0.00000 0.81008 1.00000
Ga4 Ga 0.03329 0.50000 0.31008 1.00000
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