HoU2P3
Alexandria ALEXAlex-ID: agm005658270 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_35_spg14
HoUP2 UP
2023-08-24 09:02:26.511037
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005658270).
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 agm005658270
data_agm005658270
_cell_length_a 5.57947
_cell_length_b 7.88399
_cell_length_c 11.86610
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 89.98820
_cell_volume 521.97176
_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
Ho1 Ho 0.24975 0.87576 0.08195 1.00000
Ho2 Ho 0.24975 0.37576 0.41805 1.00000
Ho3 Ho 0.75025 0.62424 0.58195 1.00000
Ho4 Ho 0.75025 0.12424 0.91805 1.00000
U1 U 0.25055 0.87527 0.75137 1.00000
U2 U 0.25055 0.37527 0.74863 1.00000
U3 U 0.24971 0.87651 0.41645 1.00000
U4 U 0.24971 0.37651 0.08355 1.00000
U5 U 0.75029 0.62349 0.91645 1.00000
U6 U 0.75029 0.12349 0.58355 1.00000
U7 U 0.74945 0.62473 0.25137 1.00000
U8 U 0.74945 0.12473 0.24863 1.00000
P1 P 0.25025 0.62828 0.58471 1.00000
P2 P 0.25025 0.12828 0.91529 1.00000
P3 P 0.25030 0.62403 0.91571 1.00000
P4 P 0.25030 0.12403 0.58429 1.00000
P5 P 0.24943 0.62576 0.25104 1.00000
P6 P 0.24943 0.12576 0.24896 1.00000
P7 P 0.75057 0.87424 0.75104 1.00000
P8 P 0.75057 0.37424 0.74896 1.00000
P9 P 0.74970 0.87597 0.41571 1.00000
P10 P 0.74970 0.37597 0.08429 1.00000
P11 P 0.74975 0.87172 0.08471 1.00000
P12 P 0.74975 0.37172 0.41529 1.00000
