La3(PmPr4)2
Alexandria ALEXAlex-ID: agm005607760 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C8_185_spg12
La3Pr5 Pm2Pr Pr
2023-06-15 23:08:18.885370
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005607760).
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 agm005607760
data_agm005607760
_cell_length_a 6.32011
_cell_length_b 12.03897
_cell_length_c 9.07464
_cell_angle_alpha 131.55437
_cell_angle_beta 73.04750
_cell_angle_gamma 90.00000
_cell_volume 475.85901
_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 0.50000 0.00000 0.00000 1.00000
La2 La 0.00000 0.23826 1.00000 1.00000
La3 La 1.00000 0.76174 0.00000 1.00000
Pm1 Pm 0.64092 0.70883 0.41766 1.00000
Pm2 Pm 0.35908 0.29117 0.58234 1.00000
Pr1 Pr 0.78656 0.44275 0.88551 1.00000
Pr2 Pr 0.21344 0.55725 0.11449 1.00000
Pr3 Pr 0.04562 0.84244 0.68488 1.00000
Pr4 Pr 0.95438 0.15756 0.31512 1.00000
Pr5 Pr 0.32265 0.91940 0.34980 1.00000
Pr6 Pr 0.32265 0.43040 0.34980 1.00000
Pr7 Pr 0.67735 0.56960 0.65020 1.00000
Pr8 Pr 0.67735 0.08060 0.65020 1.00000
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