Rb2TlO
Alexandria ALEXAlex-ID: agm005697445 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_9480_spg11
Rb3TlO2 Rb3O Rb8Tl11
2023-07-13 11:30:27.344228
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005697445).
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 agm005697445
data_agm005697445
_cell_length_a 5.73761
_cell_length_b 8.76701
_cell_length_c 12.80813
_cell_angle_alpha 88.70170
_cell_angle_beta 89.99995
_cell_angle_gamma 89.99996
_cell_volume 644.10444
_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 0.74994 0.88414 0.86955 1.00000
Rb2 Rb 0.25006 0.11586 0.13045 1.00000
Rb3 Rb 0.24994 0.61586 0.63045 1.00000
Rb4 Rb 0.75006 0.38414 0.36955 1.00000
Rb5 Rb 0.75006 0.38775 0.96652 1.00000
Rb6 Rb 0.24994 0.61225 0.03348 1.00000
Rb7 Rb 0.25006 0.11225 0.53348 1.00000
Rb8 Rb 0.74994 0.88775 0.46652 1.00000
Tl1 Tl 0.24996 0.70927 0.31662 1.00000
Tl2 Tl 0.75004 0.29073 0.68338 1.00000
Tl3 Tl 0.74996 0.79073 0.18338 1.00000
Tl4 Tl 0.25004 0.20927 0.81662 1.00000
O1 O 0.75008 0.18783 0.52903 1.00000
O2 O 0.24992 0.81217 0.47097 1.00000
O3 O 0.25008 0.31217 0.97097 1.00000
O4 O 0.74992 0.68783 0.02903 1.00000
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