LaPr3(ErSe3)2
Alexandria ALEXAlex-ID: agm034961434 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_1003_spg1
LaErSe2 LaPr2Se3 PrErSe2
2025-03-09 06:58:09
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034961434).
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 agm034961434
data_agm034961434
_cell_length_a 9.40080
_cell_length_b 9.40080
_cell_length_c 8.47725
_cell_angle_alpha 76.51192
_cell_angle_beta 103.48808
_cell_angle_gamma 154.38920
_cell_volume 314.43627
_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 0.50000 0.00000 1.00000
Pr1 Pr 0.50000 0.50000 0.50000 1.00000
Pr2 Pr 0.16268 0.83732 0.33571 1.00000
Pr3 Pr 0.83732 0.16268 0.66429 1.00000
Er1 Er 0.83412 0.16588 0.16863 1.00000
Er2 Er 0.16588 0.83412 0.83137 1.00000
Se1 Se 0.32772 0.67228 0.92669 1.00000
Se2 Se 0.66907 0.33093 0.60045 1.00000
Se3 Se 0.67228 0.32772 0.07331 1.00000
Se4 Se 0.00674 0.99326 0.75250 1.00000
Se5 Se 0.99326 0.00674 0.24750 1.00000
Se6 Se 0.33093 0.66907 0.39955 1.00000
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