Rb2TlBiO4
Alexandria ALEXAlex-ID: agm004764397 · Space group: I-4 (#82)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_415_spg82
RbBiO2 RbTlO2
2022-07-19 01:26:50.860644
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004764397).
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 agm004764397
data_agm004764397
_cell_length_a 6.40492
_cell_length_b 6.39295
_cell_length_c 6.39152
_cell_angle_alpha 120.19442
_cell_angle_beta 120.25643
_cell_angle_gamma 89.67858
_cell_volume 184.31107
_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 0.48690 0.98690 0.97381 1.00000
Rb2 Rb 0.23720 0.23720 0.47440 1.00000
Tl1 Tl 0.73590 0.73590 0.47181 1.00000
Bi1 Bi 0.98633 0.48633 0.97267 1.00000
O1 O 0.69562 0.60885 0.71686 1.00000
O2 O 0.86087 0.44842 0.22387 1.00000
O3 O 0.36300 0.77544 0.22386 1.00000
O4 O 0.02123 0.10802 0.71683 1.00000
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