Cs2UPO6
Alexandria ALEXAlex-ID: agm016391663 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_8_spg65
Cs4U(PO5)2 UO2
2025-01-24 17:08:17
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm016391663).
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
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# CIF generated by HEAS from Alexandria entry agm016391663
data_agm016391663
_cell_length_a 5.44717
_cell_length_b 5.44717
_cell_length_c 6.92256
_cell_angle_alpha 90.78565
_cell_angle_beta 89.21435
_cell_angle_gamma 95.47998
_cell_volume 204.42985
_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
Cs1 Cs 0.27111 0.22730 0.36995 1.00000
Cs2 Cs 0.77270 0.72889 0.36995 1.00000
U1 U 0.74575 0.25425 0.86457 1.00000
P1 P 0.28649 0.71351 0.94172 1.00000
O1 O 0.37965 0.97036 0.85576 1.00000
O2 O 0.76237 0.23763 0.59123 1.00000
O3 O 0.76557 0.23443 0.13576 1.00000
O4 O 0.27675 0.72325 0.16398 1.00000
O5 O 0.02964 0.62035 0.85576 1.00000
O6 O 0.47245 0.52755 0.86832 1.00000
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