RbUTeO6
Alexandria ALEXAlex-ID: agm062129173 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD6_106_spg46
Rb(TeO3)2 Rb2U2O7 Rb2U3(TeO7)2 UO3
2024-12-23 04:44:17
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm062129173).
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 agm062129173
data_agm062129173
_cell_length_a 7.76199
_cell_length_b 7.76199
_cell_length_c 7.76199
_cell_angle_alpha 121.20261
_cell_angle_beta 118.34944
_cell_angle_gamma 90.40601
_cell_volume 331.53322
_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
Rb1 Rb 0.15376 0.40376 0.75000 1.00000
Rb2 Rb 0.84624 0.59624 0.25000 1.00000
U1 U 0.00000 0.00000 0.00000 1.00000
U2 U 0.50000 0.00000 0.50000 1.00000
Te1 Te 0.50000 0.00000 0.00000 1.00000
Te2 Te 0.50000 0.50000 0.50000 1.00000
O1 O 0.18201 0.93201 0.25000 1.00000
O2 O 0.55992 0.30992 0.25000 1.00000
O3 O 0.55362 0.31836 0.62917 1.00000
O4 O 0.18919 0.92445 0.87083 1.00000
O5 O 0.55362 0.92445 0.23526 1.00000
O6 O 0.18919 0.31836 0.26474 1.00000
O7 O 0.81799 0.06799 0.75000 1.00000
O8 O 0.44008 0.69008 0.75000 1.00000
O9 O 0.44638 0.68164 0.37083 1.00000
O10 O 0.81081 0.07555 0.12917 1.00000
O11 O 0.44638 0.07555 0.76474 1.00000
O12 O 0.81081 0.68164 0.73526 1.00000
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