Pr2Zn12Co5
Alexandria ALEXAlex-ID: agm005679808 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C12_0_spg166
Pr3Zn22 PrZn4 Co
2023-06-23 04:34:37.286403
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005679808).
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 agm005679808
data_agm005679808
_cell_length_a 6.67013
_cell_length_b 6.67013
_cell_length_c 6.67013
_cell_angle_alpha 83.51549
_cell_angle_beta 83.51550
_cell_angle_gamma 83.51550
_cell_volume 291.46062
_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 0.66431 0.66431 0.66431 1.00000
Pr2 Pr 0.33569 0.33569 0.33569 1.00000
Zn1 Zn 0.28469 0.71531 1.00000 1.00000
Zn2 Zn 0.71531 0.00000 0.28469 1.00000
Zn3 Zn 0.00000 0.28469 0.71531 1.00000
Zn4 Zn 0.71531 0.28469 0.00000 1.00000
Zn5 Zn 0.28469 1.00000 0.71531 1.00000
Zn6 Zn 1.00000 0.71531 0.28469 1.00000
Zn7 Zn 0.34220 0.34220 0.86194 1.00000
Zn8 Zn 0.34220 0.86194 0.34220 1.00000
Zn9 Zn 0.86194 0.34220 0.34220 1.00000
Zn10 Zn 0.65780 0.13806 0.65780 1.00000
Zn11 Zn 0.65780 0.65780 0.13806 1.00000
Zn12 Zn 0.13806 0.65780 0.65780 1.00000
Co1 Co 0.00000 0.00000 0.50000 1.00000
Co2 Co 0.00000 0.50000 0.00000 1.00000
Co3 Co 0.50000 0.00000 0.00000 1.00000
Co4 Co 0.90439 0.90439 0.90439 1.00000
Co5 Co 0.09561 0.09561 0.09561 1.00000
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