Pr3Co5Se
Alexandria ALEXAlex-ID: agm072669481 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C5_1020_spg8
Pr2Co17 Pr2Co2Se PrCo
2024-09-24 02:46:58.644105
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072669481).
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
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# CIF generated by HEAS from Alexandria entry agm072669481
data_agm072669481
_cell_length_a 5.81729
_cell_length_b 5.81729
_cell_length_c 8.16471
_cell_angle_alpha 81.96318
_cell_angle_beta 81.96318
_cell_angle_gamma 39.74712
_cell_volume 174.70373
_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 0.69800 0.69800 0.28706 1.00000
Pr2 Pr 0.02249 0.02249 0.95244 1.00000
Pr3 Pr 0.36068 0.36068 0.61421 1.00000
Co1 Co 0.31345 0.31345 0.02361 1.00000
Co2 Co 0.97401 0.97401 0.33970 1.00000
Co3 Co 0.07857 0.07857 0.55709 1.00000
Co4 Co 0.63060 0.63060 0.66457 1.00000
Co5 Co 0.42260 0.42260 0.23519 1.00000
Se1 Se 0.74802 0.74802 0.89613 1.00000
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