Pr2ThCo3
Alexandria ALEXAlex-ID: agm034677554 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_36_spg70
ThCo PrCo
2025-04-14 22:22:42
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034677554).
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 agm034677554
data_agm034677554
_cell_length_a 5.95580
_cell_length_b 7.77470
_cell_length_c 12.37719
_cell_angle_alpha 71.56504
_cell_angle_beta 84.03198
_cell_angle_gamma 71.03388
_cell_volume 514.19159
_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 0.20587 0.44401 0.75173 1.00000
Pr2 Pr 0.78276 0.72500 0.91427 1.00000
Pr3 Pr 0.21724 0.27500 0.08573 1.00000
Pr4 Pr 0.79413 0.55599 0.24827 1.00000
Pr5 Pr 0.77614 0.05396 0.25113 1.00000
Pr6 Pr 0.22713 0.10997 0.41645 1.00000
Pr7 Pr 0.77287 0.89003 0.58355 1.00000
Pr8 Pr 0.22386 0.94604 0.74887 1.00000
Th1 Th 0.76117 0.21974 0.91792 1.00000
Th2 Th 0.23883 0.78026 0.08208 1.00000
Th3 Th 0.23050 0.61174 0.41543 1.00000
Th4 Th 0.76950 0.38826 0.58457 1.00000
Co1 Co 0.36428 0.57938 0.92007 1.00000
Co2 Co 0.34138 0.06976 0.92224 1.00000
Co3 Co 0.63572 0.42062 0.07993 1.00000
Co4 Co 0.65862 0.93024 0.07776 1.00000
Co5 Co 0.36686 0.43282 0.24808 1.00000
Co6 Co 0.35921 0.89079 0.25031 1.00000
Co7 Co 0.65481 0.73623 0.42075 1.00000
Co8 Co 0.63990 0.27089 0.42010 1.00000
Co9 Co 0.34519 0.26377 0.57925 1.00000
Co10 Co 0.36010 0.72911 0.57990 1.00000
Co11 Co 0.63314 0.56718 0.75192 1.00000
Co12 Co 0.64079 0.10921 0.74969 1.00000
