La12Pm2Pr5
Alexandria ALEXAlex-ID: agm005649347 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C12_411_spg2
LaPm La2Pr
2023-06-26 00:37:23.858617
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005649347).
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 agm005649347
data_agm005649347
_cell_length_a 6.51551
_cell_length_b 9.79775
_cell_length_c 12.72799
_cell_angle_alpha 72.24978
_cell_angle_beta 66.73271
_cell_angle_gamma 93.98372
_cell_volume 693.95804
_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 0.11463 0.94856 0.86132 1.00000
La2 La 0.21156 0.58929 0.03215 1.00000
La3 La 0.21642 0.05943 0.54226 1.00000
La4 La 0.65657 0.66647 0.10821 1.00000
La5 La 0.66038 0.17115 0.63647 1.00000
La6 La 0.22622 0.44730 0.40016 1.00000
La7 La 0.77378 0.55270 0.59984 1.00000
La8 La 0.34343 0.33353 0.89179 1.00000
La9 La 0.33962 0.82885 0.36353 1.00000
La10 La 0.78844 0.41071 0.96785 1.00000
La11 La 0.78358 0.94057 0.45774 1.00000
La12 La 0.88537 0.05144 0.13868 1.00000
Pm1 Pm 0.09474 0.30922 0.70840 1.00000
Pm2 Pm 0.90526 0.69078 0.29160 1.00000
Pr1 Pr 0.29407 0.21240 0.22037 1.00000
Pr2 Pr 0.74600 0.31201 0.30918 1.00000
Pr3 Pr 0.50000 0.00000 0.00000 1.00000
Pr4 Pr 0.25400 0.68799 0.69082 1.00000
Pr5 Pr 0.70593 0.78760 0.77963 1.00000
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