Sm6C2Se3S
Alexandria ALEXAlex-ID: agm044157498 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_1_spg12
Sm6C2Se3S
2024-11-09 13:58:14.780531
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm044157498).
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 agm044157498
data_agm044157498
_cell_length_a 6.83000
_cell_length_b 6.83000
_cell_length_c 7.12335
_cell_angle_alpha 80.81369
_cell_angle_beta 80.81369
_cell_angle_gamma 119.98217
_cell_volume 272.77160
_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 0.57260 0.92912 0.21382 1.00000
Sm2 Sm 0.71423 0.71423 0.78895 1.00000
Sm3 Sm 0.42740 0.07088 0.78618 1.00000
Sm4 Sm 0.92912 0.57260 0.21382 1.00000
Sm5 Sm 0.28577 0.28577 0.21105 1.00000
Sm6 Sm 0.07088 0.42740 0.78618 1.00000
C1 C 0.66748 0.33252 0.00000 1.00000
C2 C 0.33252 0.66748 0.00000 1.00000
Se1 Se 0.83939 0.16061 0.50000 1.00000
Se2 Se 0.16061 0.83939 0.50000 1.00000
Se3 Se 0.50000 0.50000 0.50000 1.00000
S1 S 0.00000 0.00000 0.00000 1.00000
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