Tl3Rh7
Alexandria ALEXAlex-ID: agm010132077 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B7_0_spg12
Rh Tl
2024-07-13 07:20:27.407899
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010132077).
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 agm010132077
data_agm010132077
_cell_length_a 7.56401
_cell_length_b 7.56401
_cell_length_c 5.70661
_cell_angle_alpha 75.27821
_cell_angle_beta 75.27821
_cell_angle_gamma 31.62925
_cell_volume 165.14288
_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
Tl1 Tl 0.00000 0.00000 0.50000 1.00000
Tl2 Tl 0.19390 0.19390 0.88634 1.00000
Tl3 Tl 0.80610 0.80610 0.11366 1.00000
Rh1 Rh 0.00000 0.00000 0.00000 1.00000
Rh2 Rh 0.20243 0.20243 0.39669 1.00000
Rh3 Rh 0.79757 0.79757 0.60331 1.00000
Rh4 Rh 0.40230 0.40230 0.31101 1.00000
Rh5 Rh 0.59770 0.59770 0.68899 1.00000
Rh6 Rh 0.40185 0.40185 0.80067 1.00000
Rh7 Rh 0.59815 0.59815 0.19933 1.00000
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