SrU4(PO4)6
Alexandria ALEXAlex-ID: agm021308024 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C6D24_1_spg148
U2(PO4)3 Sr2P2O7 UO2 P
2025-02-06 04:35:17
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm021308024).
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 agm021308024
data_agm021308024
_cell_length_a 9.76433
_cell_length_b 9.76433
_cell_length_c 9.76433
_cell_angle_alpha 56.48028
_cell_angle_beta 56.48028
_cell_angle_gamma 56.48028
_cell_volume 604.72385
_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
Sr1 Sr 0.50000 0.50000 0.50000 1.00000
U1 U 0.14203 0.14203 0.14203 1.00000
U2 U 0.85797 0.85797 0.85797 1.00000
U3 U 0.65002 0.65002 0.65002 1.00000
U4 U 0.34998 0.34998 0.34998 1.00000
P1 P 0.94939 0.25941 0.52856 1.00000
P2 P 0.25941 0.52856 0.94939 1.00000
P3 P 0.52856 0.94939 0.25941 1.00000
P4 P 0.47144 0.05061 0.74059 1.00000
P5 P 0.05061 0.74059 0.47144 1.00000
P6 P 0.74059 0.47144 0.05061 1.00000
O1 O 0.68900 0.94544 0.08751 1.00000
O2 O 0.69151 0.51190 0.90288 1.00000
O3 O 0.23994 0.36684 0.97764 1.00000
O4 O 0.51190 0.90288 0.69151 1.00000
O5 O 0.76865 0.40992 0.56978 1.00000
O6 O 0.48810 0.09712 0.30849 1.00000
O7 O 0.31100 0.05456 0.91249 1.00000
O8 O 0.97764 0.23994 0.36684 1.00000
O9 O 0.56978 0.76865 0.40992 1.00000
O10 O 0.59008 0.43022 0.23135 1.00000
O11 O 0.02236 0.76006 0.63316 1.00000
O12 O 0.23135 0.59008 0.43022 1.00000
O13 O 0.09712 0.30849 0.48810 1.00000
O14 O 0.30849 0.48810 0.09712 1.00000
O15 O 0.90288 0.69151 0.51190 1.00000
O16 O 0.05456 0.91249 0.31100 1.00000
O17 O 0.40992 0.56978 0.76865 1.00000
O18 O 0.63316 0.02236 0.76006 1.00000
O19 O 0.91249 0.31100 0.05456 1.00000
O20 O 0.94544 0.08751 0.68900 1.00000
O21 O 0.43022 0.23135 0.59008 1.00000
O22 O 0.76006 0.63316 0.02236 1.00000
O23 O 0.08751 0.68900 0.94544 1.00000
O24 O 0.36684 0.97764 0.23994 1.00000
