Pr12Co6Cu
Alexandria ALEXAlex-ID: agm006129062 · Space group: Im-3 (#204)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C12_0_spg204
Pr4Co PrCo PrCu
2023-08-25 16:42:49.781752
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006129062).
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 agm006129062
data_agm006129062
_cell_length_a 8.69029
_cell_length_b 8.69029
_cell_length_c 8.69029
_cell_angle_alpha 109.47122
_cell_angle_beta 109.47122
_cell_angle_gamma 109.47122
_cell_volume 505.22058
_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 0.30489 0.11200 0.80710 1.00000
Pr2 Pr 0.30489 0.49779 0.19290 1.00000
Pr3 Pr 0.69511 0.50221 0.80710 1.00000
Pr4 Pr 0.69511 0.88800 0.19290 1.00000
Pr5 Pr 0.11200 0.80710 0.30489 1.00000
Pr6 Pr 0.49779 0.19290 0.30489 1.00000
Pr7 Pr 0.50221 0.80710 0.69511 1.00000
Pr8 Pr 0.88800 0.19290 0.69511 1.00000
Pr9 Pr 0.80710 0.30489 0.11200 1.00000
Pr10 Pr 0.19290 0.30489 0.49779 1.00000
Pr11 Pr 0.80710 0.69511 0.50221 1.00000
Pr12 Pr 0.19290 0.69511 0.88800 1.00000
Co1 Co 0.38834 0.50000 0.88834 1.00000
Co2 Co 0.61166 0.50000 0.11166 1.00000
Co3 Co 0.50000 0.88834 0.38834 1.00000
Co4 Co 0.50000 0.11166 0.61166 1.00000
Co5 Co 0.88834 0.38834 0.50000 1.00000
Co6 Co 0.11166 0.61166 0.50000 1.00000
Cu1 Cu 0.00000 0.00000 0.00000 1.00000
Get direct link