RbTlIn3
Alexandria ALEXAlex-ID: agm005808202 · Space group: I4mm (#107)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_4_spg107
RbTl3 Tl6In RbIn4
2023-07-08 02:41:53.354157
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005808202).
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 agm005808202
data_agm005808202
_cell_length_a 5.03661
_cell_length_b 5.03421
_cell_length_c 7.47579
_cell_angle_alpha 70.14265
_cell_angle_beta 70.13581
_cell_angle_gamma 89.79336
_cell_volume 166.32838
_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 0.40277 0.20646 0.89961 1.00000
Tl1 Tl 0.01293 0.81652 0.67932 1.00000
In1 In 0.65435 0.95678 0.39770 1.00000
In2 In 0.15353 0.45771 0.39752 1.00000
In3 In 0.78419 0.58770 0.13698 1.00000
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