Pr2Fe3Co14
Alexandria ALEXAlex-ID: agm007987362 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C14_1_spg166
Pr2Fe2Co15 Fe4Co3 PrCo
2024-05-09 15:46:37.000827
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007987362).
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 agm007987362
data_agm007987362
_cell_length_a 6.35739
_cell_length_b 6.35739
_cell_length_c 6.35739
_cell_angle_alpha 82.82876
_cell_angle_beta 82.82876
_cell_angle_gamma 82.82876
_cell_volume 251.37629
_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 0.65629 0.65629 0.65629 1.00000
Pr2 Pr 0.34371 0.34371 0.34371 1.00000
Fe1 Fe 0.00000 0.00000 0.50000 1.00000
Fe2 Fe 0.00000 0.50000 0.00000 1.00000
Fe3 Fe 0.50000 0.00000 0.00000 1.00000
Co1 Co 0.28360 0.71640 0.00000 1.00000
Co2 Co 0.71640 0.00000 0.28360 1.00000
Co3 Co 0.00000 0.28360 0.71640 1.00000
Co4 Co 0.28360 0.00000 0.71640 1.00000
Co5 Co 0.00000 0.71640 0.28360 1.00000
Co6 Co 0.71640 0.28360 0.00000 1.00000
Co7 Co 0.34265 0.34265 0.84626 1.00000
Co8 Co 0.34265 0.84626 0.34265 1.00000
Co9 Co 0.84626 0.34265 0.34265 1.00000
Co10 Co 0.65735 0.65735 0.15374 1.00000
Co11 Co 0.65735 0.15374 0.65735 1.00000
Co12 Co 0.15374 0.65735 0.65735 1.00000
Co13 Co 0.90564 0.90564 0.90564 1.00000
Co14 Co 0.09436 0.09436 0.09436 1.00000
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