Sm12Ho7Sc
Alexandria ALEXAlex-ID: agm005778646 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB7C12_35_spg166
Sm2Ho7 Sm Sc
2023-07-16 10:07:08.186543
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005778646).
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 agm005778646
data_agm005778646
_cell_length_a 6.13358
_cell_length_b 11.43648
_cell_length_c 11.43648
_cell_angle_alpha 116.87597
_cell_angle_beta 100.29826
_cell_angle_gamma 100.29826
_cell_volume 672.54769
_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 0.08662 0.58645 0.17279 1.00000
Sm2 Sm 0.08617 0.17279 0.58634 1.00000
Sm3 Sm 0.58076 0.64728 0.99981 1.00000
Sm4 Sm 0.41904 0.99981 0.35252 1.00000
Sm5 Sm 0.49984 0.41366 0.58645 1.00000
Sm6 Sm 0.06652 0.64748 0.64728 1.00000
Sm7 Sm 0.93348 0.35252 0.35272 1.00000
Sm8 Sm 0.50016 0.58634 0.41355 1.00000
Sm9 Sm 0.58096 0.00019 0.64748 1.00000
Sm10 Sm 0.41924 0.35272 0.00019 1.00000
Sm11 Sm 0.91383 0.82721 0.41366 1.00000
Sm12 Sm 0.91338 0.41355 0.82721 1.00000
Ho1 Ho 0.11951 0.75911 0.99984 1.00000
Ho2 Ho 0.88033 0.99984 0.24072 1.00000
Ho3 Ho 0.63961 0.75928 0.75911 1.00000
Ho4 Ho 0.50000 0.00000 0.00000 1.00000
Ho5 Ho 0.36039 0.24072 0.24089 1.00000
Ho6 Ho 0.11967 0.00016 0.75928 1.00000
Ho7 Ho 0.88049 0.24089 0.00016 1.00000
Sc1 Sc 0.00000 0.00000 0.00000 1.00000
