Sr3TlRh2
Alexandria ALEXAlex-ID: agm005677699 · Space group: R-3c (#167)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_154_spg167
Sr3TlRh3 SrTl Sr5Rh2
2023-08-25 02:25:57.588863
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005677699).
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 agm005677699
data_agm005677699
_cell_length_a 7.42510
_cell_length_b 7.42510
_cell_length_c 7.42510
_cell_angle_alpha 74.48515
_cell_angle_beta 74.48514
_cell_angle_gamma 74.48514
_cell_volume 371.51119
_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
Sr1 Sr 0.94154 0.55846 0.25000 1.00000
Sr2 Sr 0.25000 0.94154 0.55846 1.00000
Sr3 Sr 0.55846 0.25000 0.94154 1.00000
Sr4 Sr 0.05846 0.44154 0.75000 1.00000
Sr5 Sr 0.75000 0.05846 0.44154 1.00000
Sr6 Sr 0.44154 0.75000 0.05846 1.00000
Tl1 Tl 0.50000 0.50000 0.50000 1.00000
Tl2 Tl 0.00000 0.00000 0.00000 1.00000
Rh1 Rh 0.66762 0.66762 0.66762 1.00000
Rh2 Rh 0.83238 0.83238 0.83238 1.00000
Rh3 Rh 0.16762 0.16762 0.16762 1.00000
Rh4 Rh 0.33238 0.33238 0.33238 1.00000
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