Pr3GaCo3
Alexandria ALEXAlex-ID: agm005267007 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3_63_spg63
PrGa Pr2Co17 PrCo
2023-05-06 15:24:22.134987
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005267007).
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 agm005267007
data_agm005267007
_cell_length_a 5.60793
_cell_length_b 5.60793
_cell_length_c 13.24310
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 135.68845
_cell_volume 290.93658
_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
Pr1 Pr 0.78709 0.21291 0.39710 1.00000
Pr2 Pr 0.21291 0.78709 0.60290 1.00000
Pr3 Pr 0.78709 0.21291 0.10290 1.00000
Pr4 Pr 0.21291 0.78709 0.89710 1.00000
Pr5 Pr 0.49532 0.50468 0.25000 1.00000
Pr6 Pr 0.50468 0.49532 0.75000 1.00000
Ga1 Ga 0.50000 0.50000 0.50000 1.00000
Ga2 Ga 0.50000 0.50000 0.00000 1.00000
Co1 Co 0.07626 0.92374 0.40607 1.00000
Co2 Co 0.92374 0.07626 0.59393 1.00000
Co3 Co 0.07626 0.92374 0.09393 1.00000
Co4 Co 0.92374 0.07626 0.90607 1.00000
Co5 Co 0.18415 0.81585 0.25000 1.00000
Co6 Co 0.81585 0.18415 0.75000 1.00000
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