Rb3NaTl4
Alexandria ALEXAlex-ID: agm006035239 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4_1359_spg5
Na2Tl Rb8Tl11 Rb
2023-10-20 09:29:13
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006035239).
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 agm006035239
data_agm006035239
_cell_length_a 7.35996
_cell_length_b 7.33740
_cell_length_c 9.88722
_cell_angle_alpha 131.69612
_cell_angle_beta 111.85100
_cell_angle_gamma 90.00006
_cell_volume 345.62305
_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
Na1 Na 0.45480 0.50000 1.00000 1.00000
Tl1 Tl 0.65978 0.57854 0.43029 1.00000
Tl2 Tl 0.22950 0.42146 0.56971 1.00000
Tl3 Tl 0.76267 0.04736 0.19526 1.00000
Tl4 Tl 0.56741 0.95264 0.80474 1.00000
Rb1 Rb 0.73518 0.27846 0.65749 1.00000
Rb2 Rb 0.16397 0.00000 0.00000 1.00000
Rb3 Rb 0.07770 0.72154 0.34251 1.00000
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