U5P5N
Alexandria ALEXAlex-ID: agm003674110 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C5_36_spg12
UP U2PN2 U3P4
2022-04-09 15:48:56.994048
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003674110).
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 agm003674110
data_agm003674110
_cell_length_a 5.42759
_cell_length_b 6.70263
_cell_length_c 7.53215
_cell_angle_alpha 107.11331
_cell_angle_beta 90.00000
_cell_angle_gamma 113.88394
_cell_volume 237.21945
_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
U1 U 0.85221 0.70442 0.15153 1.00000
U2 U 0.84410 0.68820 0.68892 1.00000
U3 U 0.50000 0.00000 0.00000 1.00000
U4 U 0.15590 0.31180 0.31108 1.00000
U5 U 0.14779 0.29558 0.84847 1.00000
P1 P 0.68399 0.36798 0.33123 1.00000
P2 P 0.66113 0.32227 0.82361 1.00000
P3 P 0.00000 0.00000 0.50000 1.00000
P4 P 0.33887 0.67773 0.17639 1.00000
P5 P 0.31601 0.63202 0.66877 1.00000
N1 N 0.00000 0.00000 0.00000 1.00000
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