PmU2P3
Alexandria ALEXAlex-ID: agm005658201 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_35_spg14
Pm5UP6 UP
2023-08-29 20:48:56.333317
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005658201).
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 agm005658201
data_agm005658201
_cell_length_a 5.65257
_cell_length_b 7.97335
_cell_length_c 12.02145
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 89.99082
_cell_volume 541.80551
_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 0.24978 0.87483 0.08023 1.00000
Pm2 Pm 0.24978 0.37483 0.41977 1.00000
Pm3 Pm 0.75022 0.62517 0.58023 1.00000
Pm4 Pm 0.75022 0.12517 0.91977 1.00000
U1 U 0.25049 0.87508 0.75311 1.00000
U2 U 0.25049 0.37508 0.74689 1.00000
U3 U 0.24975 0.87792 0.41567 1.00000
U4 U 0.24975 0.37792 0.08433 1.00000
U5 U 0.75025 0.62208 0.91567 1.00000
U6 U 0.75025 0.12208 0.58433 1.00000
U7 U 0.74951 0.62492 0.25311 1.00000
U8 U 0.74951 0.12492 0.24689 1.00000
P1 P 0.25023 0.63450 0.58736 1.00000
P2 P 0.25023 0.13450 0.91264 1.00000
P3 P 0.25027 0.61814 0.91255 1.00000
P4 P 0.25027 0.11814 0.58745 1.00000
P5 P 0.24949 0.62619 0.25181 1.00000
P6 P 0.24949 0.12619 0.24819 1.00000
P7 P 0.75051 0.87381 0.75181 1.00000
P8 P 0.75051 0.37381 0.74819 1.00000
P9 P 0.74973 0.88186 0.41255 1.00000
P10 P 0.74973 0.38186 0.08745 1.00000
P11 P 0.74977 0.86550 0.08736 1.00000
P12 P 0.74977 0.36550 0.41264 1.00000
