CsUMnO6
Alexandria ALEXAlex-ID: agm005069751 · Space group: P312 (#149)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD6_77_spg149
CsMn8O16 Cs2U2O7 CsO12 UO3
2022-12-17 20:48:28.239917
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005069751).
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 agm005069751
data_agm005069751
_cell_length_a 5.38695
_cell_length_b 5.38693
_cell_length_c 6.76556
_cell_angle_alpha 90.00905
_cell_angle_beta 89.99090
_cell_angle_gamma 59.96133
_cell_volume 169.96116
_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 0.99964 0.99967 1.00000 1.00000
U1 U 0.66657 0.66659 0.50001 1.00000
Mn1 Mn 0.33332 0.33336 0.49997 1.00000
O1 O 0.01857 0.37263 0.34062 1.00000
O2 O 0.37260 0.01862 0.65936 1.00000
O3 O 0.60856 0.37311 0.65945 1.00000
O4 O 0.01808 0.60936 0.65912 1.00000
O5 O 0.37308 0.60860 0.34053 1.00000
O6 O 0.60934 0.01810 0.34086 1.00000
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