La6Pr5
Alexandria ALEXAlex-ID: agm026211757 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A5B6_697_spg12
LaPr La2Pr
2025-03-05 05:36:37
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm026211757).
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 agm026211757
data_agm026211757
_cell_length_a 9.83875
_cell_length_b 9.83875
_cell_length_c 11.16215
_cell_angle_alpha 86.25443
_cell_angle_beta 93.74557
_cell_angle_gamma 158.15688
_cell_volume 401.12976
_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 0.40944 0.59056 0.04596 1.00000
La2 La 0.13686 0.86314 0.68156 1.00000
La3 La 0.59056 0.40944 0.95404 1.00000
La4 La 0.86314 0.13686 0.31844 1.00000
La5 La 0.68194 0.31806 0.41045 1.00000
La6 La 0.31806 0.68194 0.58955 1.00000
Pr1 Pr 0.22754 0.77246 0.13634 1.00000
Pr2 Pr 0.77246 0.22754 0.86366 1.00000
Pr3 Pr 0.04516 0.95484 0.22673 1.00000
Pr4 Pr 0.50000 0.50000 0.50000 1.00000
Pr5 Pr 0.95484 0.04516 0.77327 1.00000
Get direct link