U2P2H5
Alexandria ALEXAlex-ID: agm007138616 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_1464_spg12
UPH H2
2024-01-27 21:22:05.700116
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007138616).
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 agm007138616
data_agm007138616
_cell_length_a 7.04387
_cell_length_b 7.04387
_cell_length_c 7.22564
_cell_angle_alpha 84.53571
_cell_angle_beta 84.53571
_cell_angle_gamma 31.70216
_cell_volume 187.47204
_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 0.31558 0.40270 0.41509 1.00000
U2 U 0.59730 0.68442 0.58491 1.00000
U3 U 0.85314 0.91742 0.83626 1.00000
U4 U 0.08258 0.14686 0.16374 1.00000
P1 P 0.95159 0.04841 0.50000 1.00000
P2 P 0.43835 0.56165 0.00000 1.00000
P3 P 0.74066 0.79616 0.20025 1.00000
P4 P 0.20384 0.25934 0.79975 1.00000
H1 H 0.23983 0.81019 0.77969 1.00000
H2 H 0.18981 0.76017 0.22031 1.00000
H3 H 0.79397 0.28449 0.86611 1.00000
H4 H 0.71551 0.20603 0.13389 1.00000
H5 H 0.77286 0.84489 0.56883 1.00000
H6 H 0.15511 0.22714 0.43117 1.00000
H7 H 0.36697 0.44596 0.68986 1.00000
H8 H 0.55404 0.63303 0.31014 1.00000
H9 H 0.74101 0.71213 0.81794 1.00000
H10 H 0.28787 0.25899 0.18206 1.00000
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