LaPr2Co
Alexandria ALEXAlex-ID: agm069688036 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_547_spg62
LaPr2Co
2024-12-21 04:39:29
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm069688036).
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 agm069688036
data_agm069688036
_cell_length_a 6.47953
_cell_length_b 10.11616
_cell_length_c 14.40221
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 944.03549
_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
La1 La 0.42340 0.75000 0.65069 1.00000
La2 La 0.92340 0.25000 0.84931 1.00000
La3 La 0.57660 0.25000 0.34931 1.00000
La4 La 0.07660 0.75000 0.15069 1.00000
La5 La 0.25313 0.75000 0.90150 1.00000
La6 La 0.75313 0.25000 0.59850 1.00000
La7 La 0.74687 0.25000 0.09850 1.00000
La8 La 0.24687 0.75000 0.40150 1.00000
Pr1 Pr 0.90593 0.57315 0.71256 1.00000
Pr2 Pr 0.40593 0.42685 0.78744 1.00000
Pr3 Pr 0.09407 0.07315 0.28744 1.00000
Pr4 Pr 0.59407 0.92685 0.21256 1.00000
Pr5 Pr 0.09407 0.42685 0.28744 1.00000
Pr6 Pr 0.59407 0.57315 0.21256 1.00000
Pr7 Pr 0.90593 0.92685 0.71256 1.00000
Pr8 Pr 0.40593 0.07315 0.78744 1.00000
Pr9 Pr 0.23728 0.07312 0.53926 1.00000
Pr10 Pr 0.73728 0.92688 0.96074 1.00000
Pr11 Pr 0.76272 0.57312 0.46074 1.00000
Pr12 Pr 0.26272 0.42688 0.03926 1.00000
Pr13 Pr 0.76272 0.92688 0.46074 1.00000
Pr14 Pr 0.26272 0.07312 0.03926 1.00000
Pr15 Pr 0.23728 0.42688 0.53926 1.00000
Pr16 Pr 0.73728 0.57312 0.96074 1.00000
Co1 Co 0.62056 0.75000 0.80893 1.00000
Co2 Co 0.12056 0.25000 0.69107 1.00000
Co3 Co 0.37944 0.25000 0.19107 1.00000
Co4 Co 0.87944 0.75000 0.30893 1.00000
Co5 Co 0.03645 0.75000 0.56739 1.00000
Co6 Co 0.53645 0.25000 0.93261 1.00000
Co7 Co 0.96355 0.25000 0.43261 1.00000
Co8 Co 0.46355 0.75000 0.06739 1.00000
