PmU2Se3
Alexandria ALEXAlex-ID: agm017341986 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_1824_spg62
Pm2Se3 U2Se U2Se3
2025-04-14 08:30:28
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017341986).
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 agm017341986
data_agm017341986
_cell_length_a 5.81479
_cell_length_b 8.18617
_cell_length_c 12.35118
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 587.92656
_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
Pm1 Pm 0.75000 0.87502 0.07952 1.00000
Pm2 Pm 0.75000 0.37502 0.42048 1.00000
Pm3 Pm 0.25000 0.62498 0.57952 1.00000
Pm4 Pm 0.25000 0.12498 0.92048 1.00000
U1 U 0.75000 0.87559 0.75400 1.00000
U2 U 0.75000 0.37559 0.74600 1.00000
U3 U 0.75000 0.87644 0.41533 1.00000
U4 U 0.75000 0.37644 0.08467 1.00000
U5 U 0.25000 0.62356 0.91533 1.00000
U6 U 0.25000 0.12356 0.58467 1.00000
U7 U 0.25000 0.62441 0.25400 1.00000
U8 U 0.25000 0.12441 0.24600 1.00000
Se1 Se 0.75000 0.63275 0.58530 1.00000
Se2 Se 0.75000 0.13275 0.91470 1.00000
Se3 Se 0.75000 0.61853 0.91417 1.00000
Se4 Se 0.75000 0.11853 0.58583 1.00000
Se5 Se 0.75000 0.62534 0.25083 1.00000
Se6 Se 0.75000 0.12534 0.24917 1.00000
Se7 Se 0.25000 0.87466 0.75083 1.00000
Se8 Se 0.25000 0.37466 0.74917 1.00000
Se9 Se 0.25000 0.88147 0.41417 1.00000
Se10 Se 0.25000 0.38147 0.08583 1.00000
Se11 Se 0.25000 0.86725 0.08530 1.00000
Se12 Se 0.25000 0.36725 0.41470 1.00000
