Sm2Ho3ThSb6
Alexandria ALEXAlex-ID: agm030873748 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_376_spg12
Ho7ThSb8 Sm5ThSb6 Sm3ThSb4
2024-12-04 10:20:58
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm030873748).
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 agm030873748
data_agm030873748
_cell_length_a 9.88760
_cell_length_b 9.88760
_cell_length_c 8.84827
_cell_angle_alpha 77.20087
_cell_angle_beta 102.79913
_cell_angle_gamma 154.07790
_cell_volume 368.25368
_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 0.83198 0.16802 0.16441 1.00000
Sm2 Sm 0.16802 0.83198 0.83559 1.00000
Ho1 Ho 0.50000 0.50000 0.00000 1.00000
Ho2 Ho 0.83291 0.16709 0.66817 1.00000
Ho3 Ho 0.16709 0.83291 0.33183 1.00000
Th1 Th 0.50000 0.50000 0.50000 1.00000
Sb1 Sb 0.33145 0.66855 0.42063 1.00000
Sb2 Sb 0.66472 0.33528 0.08706 1.00000
Sb3 Sb 0.66855 0.33145 0.57937 1.00000
Sb4 Sb 0.99887 0.00113 0.75559 1.00000
Sb5 Sb 0.00113 0.99887 0.24441 1.00000
Sb6 Sb 0.33528 0.66472 0.91294 1.00000
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