La2Pr3Se4
Alexandria ALEXAlex-ID: agm005688725 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_761_spg12
La2PrSe3 LaPr2Se3 Pr
2023-06-28 06:41:48.811777
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005688725).
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 agm005688725
data_agm005688725
_cell_length_a 4.24387
_cell_length_b 7.38504
_cell_length_c 9.48443
_cell_angle_alpha 74.41601
_cell_angle_beta 77.07190
_cell_angle_gamma 73.30191
_cell_volume 270.77045
_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 0.59785 0.20426 0.60003 1.00000
La2 La 0.40215 0.79574 0.39997 1.00000
Pr1 Pr 0.00000 0.00000 0.00000 1.00000
Pr2 Pr 0.20517 0.39282 0.19684 1.00000
Pr3 Pr 0.79483 0.60718 0.80316 1.00000
Se1 Se 0.80117 0.09498 0.30267 1.00000
Se2 Se 0.19883 0.90502 0.69733 1.00000
Se3 Se 0.39891 0.30297 0.89922 1.00000
Se4 Se 0.60109 0.69703 0.10078 1.00000
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