Mn3SbS7
Alexandria ALEXAlex-ID: agm005963582 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C7_379_spg8
MnS2 Mn5S8 Sb2S3
2023-08-12 21:51:05.555922
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005963582).
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 agm005963582
data_agm005963582
_cell_length_a 5.77177
_cell_length_b 7.30224
_cell_length_c 7.30224
_cell_angle_alpha 57.66841
_cell_angle_beta 99.77653
_cell_angle_gamma 99.77653
_cell_volume 255.12014
_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
Mn1 Mn 0.99904 0.80469 0.19805 1.00000
Mn2 Mn 0.48547 0.99350 0.99350 1.00000
Mn3 Mn 0.99904 0.19805 0.80469 1.00000
Sb1 Sb 0.49161 0.47525 0.47525 1.00000
S1 S 0.21983 0.11163 0.11163 1.00000
S2 S 0.24147 0.09546 0.66560 1.00000
S3 S 0.70534 0.32939 0.87152 1.00000
S4 S 0.24147 0.66560 0.09546 1.00000
S5 S 0.14710 0.56935 0.56935 1.00000
S6 S 0.70534 0.87152 0.32939 1.00000
S7 S 0.76429 0.88554 0.88554 1.00000
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