Rb3Tb2TlO6
Alexandria ALEXAlex-ID: agm004624596 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_175_spg12
Rb3TlO3 Tb2O3
2022-06-28 14:07:28.164259
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004624596).
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 agm004624596
data_agm004624596
_cell_length_a 6.11356
_cell_length_b 6.11356
_cell_length_c 6.88379
_cell_angle_alpha 98.48329
_cell_angle_beta 98.48329
_cell_angle_gamma 120.00167
_cell_volume 212.89340
_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 0.16365 0.83635 0.50000 1.00000
Rb2 Rb 0.83635 0.16365 0.50000 1.00000
Rb3 Rb 0.50000 0.50000 0.50000 1.00000
Tb1 Tb 0.33309 0.66691 0.00000 1.00000
Tb2 Tb 0.66691 0.33309 0.00000 1.00000
Tl1 Tl 0.00000 0.00000 0.00000 1.00000
O1 O 0.93942 0.59766 0.81790 1.00000
O2 O 0.71903 0.71903 0.18138 1.00000
O3 O 0.06058 0.40234 0.18210 1.00000
O4 O 0.59766 0.93942 0.81790 1.00000
O5 O 0.28097 0.28097 0.81862 1.00000
O6 O 0.40234 0.06058 0.18210 1.00000
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