NaU2(PO4)3
Alexandria ALEXAlex-ID: agm030255226 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D12_1_spg2
Na4P2O7 U2(PO4)3 UO2 P
2025-02-01 06:58:56
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm030255226).
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 agm030255226
data_agm030255226
_cell_length_a 9.26954
_cell_length_b 9.41315
_cell_length_c 9.62911
_cell_angle_alpha 90.27413
_cell_angle_beta 118.45433
_cell_angle_gamma 119.07641
_cell_volume 614.30545
_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
Na1 Na 0.34443 0.31063 0.56380 1.00000
Na2 Na 0.65557 0.68937 0.43620 1.00000
U1 U 0.80315 0.65009 0.93831 1.00000
U2 U 0.21212 0.85099 0.57057 1.00000
U3 U 0.78788 0.14901 0.42943 1.00000
U4 U 0.19685 0.34991 0.06169 1.00000
P1 P 0.70935 0.25268 0.74821 1.00000
P2 P 0.99942 0.03638 0.25081 1.00000
P3 P 0.28272 0.52242 0.74329 1.00000
P4 P 0.71728 0.47758 0.25671 1.00000
P5 P 0.00058 0.96362 0.74919 1.00000
P6 P 0.29065 0.74732 0.25179 1.00000
O1 O 0.89143 0.29081 0.91555 1.00000
O2 O 0.52252 0.08329 0.70980 1.00000
O3 O 0.67636 0.39927 0.75412 1.00000
O4 O 0.13352 0.01382 0.41232 1.00000
O5 O 0.13879 0.21110 0.24173 1.00000
O6 O 0.48171 0.56316 0.77390 1.00000
O7 O 0.25553 0.75861 0.39299 1.00000
O8 O 0.84537 0.04510 0.26726 1.00000
O9 O 0.11913 0.35840 0.58975 1.00000
O10 O 0.27194 0.48756 0.89580 1.00000
O11 O 0.10566 0.11101 0.90326 1.00000
O12 O 0.26149 0.67263 0.70818 1.00000
O13 O 0.73851 0.32737 0.29182 1.00000
O14 O 0.89434 0.88899 0.09674 1.00000
O15 O 0.72806 0.51244 0.10420 1.00000
O16 O 0.88087 0.64160 0.41025 1.00000
O17 O 0.15463 0.95490 0.73274 1.00000
O18 O 0.74447 0.24139 0.60701 1.00000
O19 O 0.51829 0.43684 0.22610 1.00000
O20 O 0.86121 0.78890 0.75827 1.00000
O21 O 0.86648 0.98618 0.58768 1.00000
O22 O 0.32364 0.60073 0.24588 1.00000
O23 O 0.47748 0.91671 0.29020 1.00000
O24 O 0.10857 0.70919 0.08445 1.00000
