Tl3RhCl6
Alexandria ALEXAlex-ID: agm059606094 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C6_7_spg12
Tl3Rh2Cl9 TlCl
2025-01-22 10:08:50
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm059606094).
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 agm059606094
data_agm059606094
_cell_length_a 7.78542
_cell_length_b 7.80914
_cell_length_c 7.25726
_cell_angle_alpha 57.66251
_cell_angle_beta 57.52234
_cell_angle_gamma 60.07974
_cell_volume 300.31634
_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 0.54894 0.54888 0.35208 1.00000
Tl2 Tl 0.08328 0.08341 0.75103 1.00000
Tl3 Tl 0.81619 0.81616 0.55159 1.00000
Rh1 Rh 0.31617 0.31618 0.05148 1.00000
Cl1 Cl 0.50793 0.18370 0.29088 1.00000
Cl2 Cl 0.18454 0.01763 0.29118 1.00000
Cl3 Cl 0.01753 0.50440 0.29457 1.00000
Cl4 Cl 0.44783 0.61468 0.81181 1.00000
Cl5 Cl 0.61480 0.12791 0.80844 1.00000
Cl6 Cl 0.12440 0.44864 0.81214 1.00000
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