UNi(PO6)2
Alexandria ALEXAlex-ID: agm009028447 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D12_16_spg2
UNi2(PO5)2 Ni(PO3)2 UPO10
2024-11-04 00:29:22.059713
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009028447).
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 agm009028447
data_agm009028447
_cell_length_a 5.38979
_cell_length_b 5.40129
_cell_length_c 10.37642
_cell_angle_alpha 82.08307
_cell_angle_beta 78.91301
_cell_angle_gamma 58.19057
_cell_volume 251.67561
_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 0.00000 0.00000 0.00000 1.00000
Ni1 Ni 0.50000 0.50000 0.50000 1.00000
P1 P 0.61410 0.65269 0.18034 1.00000
P2 P 0.38590 0.34731 0.81966 1.00000
O1 O 0.86172 0.35333 0.12208 1.00000
O2 O 0.13828 0.64667 0.87792 1.00000
O3 O 0.08805 0.17098 0.49564 1.00000
O4 O 0.91195 0.82902 0.50436 1.00000
O5 O 0.56975 0.64715 0.32712 1.00000
O6 O 0.43025 0.35285 0.67288 1.00000
O7 O 0.70086 0.88316 0.12103 1.00000
O8 O 0.29914 0.11684 0.87897 1.00000
O9 O 0.18596 0.93936 0.56979 1.00000
O10 O 0.81404 0.06064 0.43021 1.00000
O11 O 0.33065 0.73048 0.12377 1.00000
O12 O 0.66935 0.26952 0.87623 1.00000
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