Mn2V3InS8
Alexandria ALEXAlex-ID: agm011654504 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D8_713_spg12
Mn(InS2)2 V2S3 MnS
2024-04-24 12:56:53.854062
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011654504).
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 agm011654504
data_agm011654504
_cell_length_a 8.72228
_cell_length_b 8.72228
_cell_length_c 8.59970
_cell_angle_alpha 78.06921
_cell_angle_beta 78.06921
_cell_angle_gamma 21.56745
_cell_volume 235.11397
_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 0.20748 0.20748 0.16563 1.00000
Mn2 Mn 0.79252 0.79252 0.83437 1.00000
V1 V 0.14409 0.14409 0.50551 1.00000
V2 V 0.85591 0.85591 0.49449 1.00000
V3 V 0.50000 0.50000 0.50000 1.00000
In1 In 0.00000 0.00000 0.00000 1.00000
S1 S 0.06880 0.06880 0.31846 1.00000
S2 S 0.33406 0.33406 0.99402 1.00000
S3 S 0.26153 0.26153 0.65013 1.00000
S4 S 0.41287 0.41287 0.31786 1.00000
S5 S 0.58713 0.58713 0.68214 1.00000
S6 S 0.93120 0.93120 0.68154 1.00000
S7 S 0.73847 0.73847 0.34987 1.00000
S8 S 0.66594 0.66594 0.00598 1.00000
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