RbB3Te2O9
Alexandria ALEXAlex-ID: agm003239013 · Space group: P2/c (#13)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D9_73_spg13
Rb2B4O7 Rb5B19O31 TeO2
2021-12-15 04:58:33.099499
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003239013).
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 agm003239013
data_agm003239013
_cell_length_a 5.56770
_cell_length_b 6.41087
_cell_length_c 14.25359
_cell_angle_alpha 68.27090
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 472.61439
_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 0.62726 0.00000 0.75000 1.00000
Rb2 Rb 0.37274 0.00000 0.25000 1.00000
B1 B 0.15829 0.82285 0.93115 1.00000
B2 B 0.84171 0.82285 0.43115 1.00000
B3 B 0.10743 0.50000 0.75000 1.00000
B4 B 0.89257 0.50000 0.25000 1.00000
B5 B 0.15829 0.17715 0.56885 1.00000
B6 B 0.84171 0.17715 0.06885 1.00000
Te1 Te 0.28664 0.67965 0.57030 1.00000
Te2 Te 0.71336 0.67965 0.07030 1.00000
Te3 Te 0.28664 0.32035 0.92970 1.00000
Te4 Te 0.71336 0.32035 0.42970 1.00000
O1 O 0.28283 0.02139 0.90097 1.00000
O2 O 0.71717 0.02139 0.40097 1.00000
O3 O 0.90936 0.81911 0.94820 1.00000
O4 O 0.09064 0.81911 0.44820 1.00000
O5 O 0.71244 0.63711 0.43601 1.00000
O6 O 0.28756 0.63711 0.93601 1.00000
O7 O 0.99177 0.59012 0.65699 1.00000
O8 O 0.00823 0.59012 0.15699 1.00000
O9 O 0.35392 0.50000 0.75000 1.00000
O10 O 0.64608 0.50000 0.25000 1.00000
O11 O 0.99177 0.40988 0.84301 1.00000
O12 O 0.00823 0.40988 0.34301 1.00000
O13 O 0.71244 0.36289 0.06399 1.00000
O14 O 0.28756 0.36289 0.56399 1.00000
O15 O 0.90936 0.18089 0.55180 1.00000
O16 O 0.09064 0.18089 0.05180 1.00000
O17 O 0.28283 0.97861 0.59903 1.00000
O18 O 0.71717 0.97861 0.09903 1.00000
