Na3Cr2SnS6
Alexandria ALEXAlex-ID: agm004635239 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_175_spg12
Na2Cr2SnS6 NaCrS2 Na4SnS4 SnS
2022-06-27 23:38:55.399932
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004635239).
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 agm004635239
data_agm004635239
_cell_length_a 6.44887
_cell_length_b 6.44887
_cell_length_c 6.85588
_cell_angle_alpha 99.16092
_cell_angle_beta 99.16092
_cell_angle_gamma 120.06908
_cell_volume 233.87978
_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
Na1 Na 0.16056 0.83944 0.50000 1.00000
Na2 Na 0.83944 0.16056 0.50000 1.00000
Na3 Na 0.50000 0.50000 0.50000 1.00000
Cr1 Cr 0.33267 0.66733 0.00000 1.00000
Cr2 Cr 0.66733 0.33267 0.00000 1.00000
Sn1 Sn 0.00000 0.00000 0.00000 1.00000
S1 S 0.93187 0.56979 0.79762 1.00000
S2 S 0.70669 0.70669 0.20342 1.00000
S3 S 0.06813 0.43021 0.20238 1.00000
S4 S 0.56979 0.93187 0.79762 1.00000
S5 S 0.29331 0.29331 0.79658 1.00000
S6 S 0.43021 0.06813 0.20238 1.00000
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