Tl7Cu4Rh3
Alexandria ALEXAlex-ID: agm009945604 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C7_178_spg12
Tl Cu Rh
2024-06-24 11:24:16.854506
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009945604).
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 agm009945604
data_agm009945604
_cell_length_a 11.63184
_cell_length_b 11.63184
_cell_length_c 11.70576
_cell_angle_alpha 61.51855
_cell_angle_beta 61.51855
_cell_angle_gamma 15.31241
_cell_volume 366.65037
_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 0.37584 0.37584 0.16332 1.00000
Tl2 Tl 0.49474 0.49474 0.22724 1.00000
Tl3 Tl 0.84308 0.84308 0.71724 1.00000
Tl4 Tl 0.62416 0.62416 0.83668 1.00000
Tl5 Tl 0.15692 0.15692 0.28276 1.00000
Tl6 Tl 0.00000 0.00000 0.50000 1.00000
Tl7 Tl 0.50526 0.50526 0.77276 1.00000
Cu1 Cu 0.77976 0.77976 0.14443 1.00000
Cu2 Cu 0.22024 0.22024 0.85557 1.00000
Cu3 Cu 0.89620 0.89620 0.93710 1.00000
Cu4 Cu 0.10380 0.10380 0.06290 1.00000
Rh1 Rh 0.30412 0.30412 0.94886 1.00000
Rh2 Rh 0.69588 0.69588 0.05114 1.00000
Rh3 Rh 0.00000 0.00000 0.00000 1.00000
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