Sm12TlRh7
Alexandria ALEXAlex-ID: agm013222887 · Space group: I4/mcm (#140)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB7C12_8_spg140
Sm2TlRh Sm5Rh3
2025-02-03 02:34:16
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm013222887).
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 agm013222887
data_agm013222887
_cell_length_a 11.01972
_cell_length_b 11.01972
_cell_length_c 11.01972
_cell_angle_alpha 115.37549
_cell_angle_beta 115.37549
_cell_angle_gamma 98.21584
_cell_volume 1001.19942
_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
Sm1 Sm 0.78297 0.06452 0.13585 1.00000
Sm2 Sm 0.07133 0.35288 0.13585 1.00000
Sm3 Sm 0.21703 0.93548 0.86415 1.00000
Sm4 Sm 0.28297 0.14712 0.71845 1.00000
Sm5 Sm 0.93548 0.07133 0.71845 1.00000
Sm6 Sm 0.35288 0.21703 0.28155 1.00000
Sm7 Sm 0.57133 0.43548 0.71845 1.00000
Sm8 Sm 0.85288 0.57133 0.13585 1.00000
Sm9 Sm 0.43548 0.71703 0.86415 1.00000
Sm10 Sm 0.92867 0.64712 0.86415 1.00000
Sm11 Sm 0.67417 0.17417 0.84833 1.00000
Sm12 Sm 0.71703 0.85288 0.28155 1.00000
Sm13 Sm 0.06452 0.92867 0.28155 1.00000
Sm14 Sm 0.64712 0.78297 0.71845 1.00000
Sm15 Sm 0.36459 0.86459 0.50000 1.00000
Sm16 Sm 0.86459 0.36459 0.50000 1.00000
Sm17 Sm 0.13541 0.63541 0.50000 1.00000
Sm18 Sm 0.63541 0.13541 0.50000 1.00000
Sm19 Sm 0.82583 0.67417 0.50000 1.00000
Sm20 Sm 0.14712 0.42867 0.86415 1.00000
Sm21 Sm 0.17417 0.32583 0.50000 1.00000
Sm22 Sm 0.32583 0.82583 0.15167 1.00000
Sm23 Sm 0.42867 0.56452 0.28155 1.00000
Sm24 Sm 0.56452 0.28297 0.13585 1.00000
Tl1 Tl 0.00000 0.00000 0.00000 1.00000
Tl2 Tl 0.50000 0.50000 0.00000 1.00000
Rh1 Rh 0.98312 0.13289 0.50000 1.00000
Rh2 Rh 0.01688 0.86711 0.50000 1.00000
Rh3 Rh 0.36711 0.51688 0.50000 1.00000
Rh4 Rh 0.13289 0.63289 0.14977 1.00000
Rh5 Rh 0.51688 0.01688 0.14977 1.00000
Rh6 Rh 0.86711 0.36711 0.85023 1.00000
Rh7 Rh 0.12462 0.62462 0.74925 1.00000
Rh8 Rh 0.37538 0.12462 0.50000 1.00000
Rh9 Rh 0.62462 0.87538 0.50000 1.00000
Rh10 Rh 0.87538 0.37538 0.25075 1.00000
Rh11 Rh 0.25000 0.25000 0.00000 1.00000
Rh12 Rh 0.75000 0.75000 0.00000 1.00000
Rh13 Rh 0.63289 0.48312 0.50000 1.00000
Rh14 Rh 0.48312 0.98312 0.85023 1.00000
