Sm6Ge2SbS3
Alexandria ALEXAlex-ID: agm004595055 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_28_spg12
Sm3GeS2 Sm2GeS SmSb
2022-06-29 22:44:41.574626
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004595055).
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 agm004595055
data_agm004595055
_cell_length_a 4.19281
_cell_length_b 8.36229
_cell_length_c 9.32974
_cell_angle_alpha 102.26873
_cell_angle_beta 102.98532
_cell_angle_gamma 90.00000
_cell_volume 311.07795
_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 0.32770 0.90975 0.65540 1.00000
Sm2 Sm 0.66754 0.58382 0.33509 1.00000
Sm3 Sm 0.67230 0.09025 0.34460 1.00000
Sm4 Sm 0.00159 0.26531 0.00318 1.00000
Sm5 Sm 0.99841 0.73469 0.99682 1.00000
Sm6 Sm 0.33246 0.41618 0.66491 1.00000
Ge1 Ge 0.83318 0.66564 0.66635 1.00000
Ge2 Ge 0.16682 0.33436 0.33365 1.00000
Sb1 Sb 0.50000 0.00000 0.00000 1.00000
S1 S 0.50000 0.50000 0.00000 1.00000
S2 S 0.83452 0.16648 0.66903 1.00000
S3 S 0.16548 0.83352 0.33097 1.00000
Get direct link