Tb12AgRh6
Alexandria ALEXAlex-ID: agm006129356 · Space group: Im-3 (#204)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C12_0_spg204
Tb4AgRh Tb5Rh3 TbAg
2023-08-26 10:10:17.953652
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006129356).
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 agm006129356
data_agm006129356
_cell_length_a 8.57166
_cell_length_b 8.57166
_cell_length_c 8.57166
_cell_angle_alpha 109.47122
_cell_angle_beta 109.47122
_cell_angle_gamma 109.47122
_cell_volume 484.81102
_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
Tb1 Tb 0.30119 0.11293 0.81174 1.00000
Tb2 Tb 0.30119 0.48944 0.18826 1.00000
Tb3 Tb 0.69881 0.51056 0.81174 1.00000
Tb4 Tb 0.69881 0.88707 0.18826 1.00000
Tb5 Tb 0.11293 0.81174 0.30119 1.00000
Tb6 Tb 0.48944 0.18826 0.30119 1.00000
Tb7 Tb 0.51056 0.81174 0.69881 1.00000
Tb8 Tb 0.88707 0.18826 0.69881 1.00000
Tb9 Tb 0.81174 0.30119 0.11293 1.00000
Tb10 Tb 0.18826 0.30119 0.48944 1.00000
Tb11 Tb 0.81174 0.69881 0.51056 1.00000
Tb12 Tb 0.18826 0.69881 0.88707 1.00000
Ag1 Ag 0.00000 0.00000 0.00000 1.00000
Rh1 Rh 0.36776 0.50000 0.86776 1.00000
Rh2 Rh 0.63224 0.50000 0.13224 1.00000
Rh3 Rh 0.50000 0.86776 0.36776 1.00000
Rh4 Rh 0.50000 0.13224 0.63224 1.00000
Rh5 Rh 0.86776 0.36776 0.50000 1.00000
Rh6 Rh 0.13224 0.63224 0.50000 1.00000
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