Rb3(Na2Tl)2
Alexandria ALEXAlex-ID: agm005663673 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_531_spg15
Na2Tl Rb
2023-06-27 12:17:01.027687
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005663673).
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 agm005663673
data_agm005663673
_cell_length_a 9.17762
_cell_length_b 12.34826
_cell_length_c 10.17225
_cell_angle_alpha 52.63012
_cell_angle_beta 76.17320
_cell_angle_gamma 90.00007
_cell_volume 873.76179
_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 0.84827 0.78282 0.23831 1.00000
Rb2 Rb 0.65173 0.02113 0.76169 1.00000
Rb3 Rb 0.15173 0.21718 0.76169 1.00000
Rb4 Rb 0.34827 0.97887 0.23831 1.00000
Rb5 Rb 0.25000 0.43311 1.00000 1.00000
Rb6 Rb 0.75000 0.56689 0.00000 1.00000
Na1 Na 0.32323 0.61099 0.23257 1.00000
Na2 Na 0.17676 0.84356 0.76743 1.00000
Na3 Na 0.67677 0.38901 0.76743 1.00000
Na4 Na 0.82324 0.15644 0.23257 1.00000
Na5 Na 0.06469 0.60371 0.60075 1.00000
Na6 Na 0.43531 0.20446 0.39925 1.00000
Na7 Na 0.93531 0.39629 0.39925 1.00000
Na8 Na 0.56469 0.79554 0.60075 1.00000
Tl1 Tl 0.43067 0.59694 0.53014 1.00000
Tl2 Tl 0.06933 0.12708 0.46986 1.00000
Tl3 Tl 0.56933 0.40306 0.46986 1.00000
Tl4 Tl 0.93067 0.87292 0.53014 1.00000
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