Rb3Na8Tl3
Alexandria ALEXAlex-ID: agm005695355 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B3C8_0_spg71
Na5Tl2 Rb Na
2023-06-29 10:39:22.886010
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005695355).
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
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# CIF generated by HEAS from Alexandria entry agm005695355
data_agm005695355
_cell_length_a 5.71477
_cell_length_b 10.80071
_cell_length_c 10.80071
_cell_angle_alpha 71.66501
_cell_angle_beta 74.65949
_cell_angle_gamma 74.65948
_cell_volume 598.17437
_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 0.50000 0.50000 0.50000 1.00000
Rb2 Rb 0.83685 0.16315 0.16315 1.00000
Rb3 Rb 0.16315 0.83685 0.83685 1.00000
Na1 Na 0.60680 0.10691 0.67950 1.00000
Na2 Na 0.39320 0.89309 0.32050 1.00000
Na3 Na 0.60680 0.67950 0.10691 1.00000
Na4 Na 0.39320 0.32050 0.89309 1.00000
Na5 Na 0.82068 0.83030 0.52834 1.00000
Na6 Na 0.17932 0.16970 0.47166 1.00000
Na7 Na 0.82068 0.52834 0.83030 1.00000
Na8 Na 0.17932 0.47166 0.16970 1.00000
Tl1 Tl 0.50000 0.00000 0.00000 1.00000
Tl2 Tl 1.00000 0.76821 0.23179 1.00000
Tl3 Tl 0.00000 0.23179 0.76821 1.00000
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