Sm(HoTh2)6
Alexandria ALEXAlex-ID: agm006115745 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C12_40_spg148
HoTh Th SmTh4
2023-08-26 16:38:53.253311
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006115745).
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 agm006115745
data_agm006115745
_cell_length_a 8.72073
_cell_length_b 8.72073
_cell_length_c 8.72073
_cell_angle_alpha 99.52473
_cell_angle_beta 99.52472
_cell_angle_gamma 99.52471
_cell_volume 632.25420
_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 0.00000 0.00000 0.00000 1.00000
Ho1 Ho 0.90046 0.33944 0.90046 1.00000
Ho2 Ho 0.90046 0.90046 0.33944 1.00000
Ho3 Ho 0.33944 0.90046 0.90046 1.00000
Ho4 Ho 0.09954 0.09954 0.66056 1.00000
Ho5 Ho 0.09954 0.66056 0.09954 1.00000
Ho6 Ho 0.66056 0.09954 0.09954 1.00000
Th1 Th 0.75359 0.24641 0.50000 1.00000
Th2 Th 0.35021 0.08336 0.35021 1.00000
Th3 Th 0.35021 0.35021 0.08336 1.00000
Th4 Th 0.91664 0.64979 0.64979 1.00000
Th5 Th 0.64979 0.64979 0.91664 1.00000
Th6 Th 0.64979 0.91664 0.64979 1.00000
Th7 Th 0.50000 0.75359 0.24641 1.00000
Th8 Th 0.24641 0.50000 0.75359 1.00000
Th9 Th 0.24641 0.75359 0.50000 1.00000
Th10 Th 0.50000 0.24641 0.75359 1.00000
Th11 Th 0.75359 0.50000 0.24641 1.00000
Th12 Th 0.08336 0.35021 0.35021 1.00000
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