Pm3GaCo2
Alexandria ALEXAlex-ID: agm005676367 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2318_spg14
PmGa PmCo
2023-08-17 11:01:39.042265
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005676367).
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 agm005676367
data_agm005676367
_cell_length_a 8.27404
_cell_length_b 8.03873
_cell_length_c 8.55619
_cell_angle_alpha 90.00000
_cell_angle_beta 103.09226
_cell_angle_gamma 90.00000
_cell_volume 554.30349
_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
Pm1 Pm 0.24821 0.97037 0.03699 1.00000
Pm2 Pm 0.25179 0.47037 0.46301 1.00000
Pm3 Pm 0.75179 0.02963 0.96301 1.00000
Pm4 Pm 0.74821 0.52963 0.53699 1.00000
Pm5 Pm 0.32700 0.53237 0.08093 1.00000
Pm6 Pm 0.17300 0.03237 0.41907 1.00000
Pm7 Pm 0.67300 0.46763 0.91907 1.00000
Pm8 Pm 0.82700 0.96763 0.58093 1.00000
Pm9 Pm 0.95542 0.69102 0.18377 1.00000
Pm10 Pm 0.54458 0.19102 0.31623 1.00000
Pm11 Pm 0.04458 0.30898 0.81623 1.00000
Pm12 Pm 0.45542 0.80898 0.68377 1.00000
Ga1 Ga 0.60761 0.80638 0.23981 1.00000
Ga2 Ga 0.89239 0.30638 0.26019 1.00000
Ga3 Ga 0.39239 0.19362 0.76019 1.00000
Ga4 Ga 0.10761 0.69362 0.73981 1.00000
Co1 Co 0.83608 0.00355 0.27009 1.00000
Co2 Co 0.66392 0.50355 0.22991 1.00000
Co3 Co 0.16392 0.99645 0.72991 1.00000
Co4 Co 0.33608 0.49645 0.77009 1.00000
Co5 Co 0.35251 0.76815 0.32503 1.00000
Co6 Co 0.14749 0.26815 0.17497 1.00000
Co7 Co 0.64749 0.23185 0.67497 1.00000
Co8 Co 0.85251 0.73185 0.82503 1.00000
