UP2C2(NO4)2
Alexandria ALEXAlex-ID: agm005256347 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D2E8_21_spg2
U2(PO4)3 U(PO3)4 CO2 N2 C
2023-05-07 00:40:53.267523
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005256347).
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 agm005256347
data_agm005256347
_cell_length_a 5.54115
_cell_length_b 5.53795
_cell_length_c 9.90892
_cell_angle_alpha 79.12765
_cell_angle_beta 102.58836
_cell_angle_gamma 119.99027
_cell_volume 255.88390
_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 0.50000 0.00000 1.00000
P1 P 0.72208 0.79767 0.18890 1.00000
P2 P 0.27792 0.20233 0.81110 1.00000
C1 C 0.52868 0.95642 0.56818 1.00000
C2 C 0.47132 0.04358 0.43182 1.00000
N1 N 0.57751 0.88308 0.68439 1.00000
N2 N 0.42249 0.11692 0.31561 1.00000
O1 O 0.40056 0.66261 0.11928 1.00000
O2 O 0.59944 0.33739 0.88072 1.00000
O3 O 0.85193 0.66228 0.11805 1.00000
O4 O 0.85172 0.11308 0.12052 1.00000
O5 O 0.14807 0.33772 0.88195 1.00000
O6 O 0.14828 0.88692 0.87948 1.00000
O7 O 0.76677 0.76658 0.34138 1.00000
O8 O 0.23323 0.23342 0.65862 1.00000
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