LaCe3(PrSe3)2
Alexandria ALEXAlex-ID: agm004607635 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_175_spg12
Ce3PrSe4 Ce2Pr3Se5 La2PrSe3
2022-06-29 10:48:58.140102
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004607635).
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 agm004607635
data_agm004607635
_cell_length_a 7.33763
_cell_length_b 7.33763
_cell_length_c 7.37927
_cell_angle_alpha 99.54722
_cell_angle_beta 99.54722
_cell_angle_gamma 120.03547
_cell_volume 324.45709
_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 0.00000 0.00000 0.00000 1.00000
Ce1 Ce 0.16662 0.83338 0.50000 1.00000
Ce2 Ce 0.83338 0.16662 0.50000 1.00000
Ce3 Ce 0.50000 0.50000 0.50000 1.00000
Pr1 Pr 0.33319 0.66681 0.00000 1.00000
Pr2 Pr 0.66681 0.33319 0.00000 1.00000
Se1 Se 0.91479 0.58046 0.74449 1.00000
Se2 Se 0.75062 0.75062 0.25507 1.00000
Se3 Se 0.08521 0.41954 0.25551 1.00000
Se4 Se 0.58046 0.91479 0.74449 1.00000
Se5 Se 0.24938 0.24938 0.74493 1.00000
Se6 Se 0.41954 0.08521 0.25551 1.00000
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