Sc7SbI12
Alexandria ALEXAlex-ID: agm005807635 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB7C12_30_spg148
Sc2I3 Sc2Sb ScI3
2023-07-16 07:40:26.683886
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005807635).
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 agm005807635
data_agm005807635
_cell_length_a 9.44193
_cell_length_b 9.44193
_cell_length_c 9.44193
_cell_angle_alpha 108.00337
_cell_angle_beta 108.00338
_cell_angle_gamma 108.00339
_cell_volume 680.91835
_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
Sc1 Sc 0.96490 0.67944 0.89356 1.00000
Sc2 Sc 0.32056 0.10644 0.03510 1.00000
Sc3 Sc 0.10644 0.03510 0.32056 1.00000
Sc4 Sc 0.50000 0.50000 0.50000 1.00000
Sc5 Sc 0.89356 0.96490 0.67944 1.00000
Sc6 Sc 0.67944 0.89356 0.96490 1.00000
Sc7 Sc 0.03510 0.32056 0.10644 1.00000
Sb1 Sb 0.00000 0.00000 0.00000 1.00000
I1 I 0.92285 0.31265 0.77596 1.00000
I2 I 0.68735 0.22404 0.07715 1.00000
I3 I 0.46232 0.15652 0.38604 1.00000
I4 I 0.84348 0.61396 0.53768 1.00000
I5 I 0.22404 0.07715 0.68735 1.00000
I6 I 0.61396 0.53768 0.84348 1.00000
I7 I 0.38604 0.46232 0.15652 1.00000
I8 I 0.77596 0.92285 0.31265 1.00000
I9 I 0.15652 0.38604 0.46232 1.00000
I10 I 0.53768 0.84348 0.61396 1.00000
I11 I 0.31265 0.77596 0.92285 1.00000
I12 I 0.07715 0.68735 0.22404 1.00000
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