UP2O7
Alexandria ALEXAlex-ID: agm005227065 · Space group: Pca2_1 (#29)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_7_spg205
U(PO3)4 U2(PO4)3 P
2023-04-17 04:04:58.074931
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005227065).
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 agm005227065
data_agm005227065
_cell_length_a 8.82449
_cell_length_b 8.81526
_cell_length_c 8.85899
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 689.14212
_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 0.99471 0.49151 0.74345 1.00000
U2 U 0.49471 0.00849 0.74345 1.00000
U3 U 0.99471 0.99151 0.25655 1.00000
U4 U 0.49471 0.50849 0.25655 1.00000
P1 P 0.09554 0.39019 0.34516 1.00000
P2 P 0.39452 0.40720 0.85874 1.00000
P3 P 0.59554 0.10981 0.34516 1.00000
P4 P 0.89452 0.09280 0.85874 1.00000
P5 P 0.39452 0.90720 0.14126 1.00000
P6 P 0.09554 0.89019 0.65484 1.00000
P7 P 0.89452 0.59280 0.14126 1.00000
P8 P 0.59554 0.60981 0.65484 1.00000
O1 O 0.98373 0.45549 0.21900 1.00000
O2 O 0.22692 0.43674 0.82663 1.00000
O3 O 0.25302 0.45681 0.31705 1.00000
O4 O 0.03387 0.43430 0.50009 1.00000
O5 O 0.43169 0.42228 0.02668 1.00000
O6 O 0.94753 0.24323 0.79199 1.00000
O7 O 0.59019 0.28101 0.31956 1.00000
O8 O 0.44753 0.25677 0.79199 1.00000
O9 O 0.09019 0.21899 0.31956 1.00000
O10 O 0.93169 0.07772 0.02668 1.00000
O11 O 0.53387 0.06570 0.50009 1.00000
O12 O 0.72692 0.06326 0.82663 1.00000
O13 O 0.75302 0.04319 0.31705 1.00000
O14 O 0.48373 0.04451 0.21900 1.00000
O15 O 0.98373 0.95549 0.78100 1.00000
O16 O 0.22692 0.93674 0.17337 1.00000
O17 O 0.25302 0.95681 0.68295 1.00000
O18 O 0.43169 0.92228 0.97332 1.00000
O19 O 0.03387 0.93430 0.49991 1.00000
O20 O 0.94753 0.74323 0.20801 1.00000
O21 O 0.59019 0.78101 0.68044 1.00000
O22 O 0.44753 0.75677 0.20801 1.00000
O23 O 0.09019 0.71899 0.68044 1.00000
O24 O 0.93169 0.57772 0.97332 1.00000
O25 O 0.53387 0.56570 0.49991 1.00000
O26 O 0.75302 0.54319 0.68295 1.00000
O27 O 0.72692 0.56326 0.17337 1.00000
O28 O 0.48373 0.54451 0.78100 1.00000
