Mn5InS8
Alexandria ALEXAlex-ID: agm011662007 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C8_215_spg12
Mn2S3 Mn(InS2)2 MnS
2024-05-10 17:13:03.084289
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011662007).
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 agm011662007
data_agm011662007
_cell_length_a 8.86894
_cell_length_b 8.86894
_cell_length_c 8.39618
_cell_angle_alpha 75.79550
_cell_angle_beta 75.79550
_cell_angle_gamma 21.70893
_cell_volume 236.53865
_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 0.15880 0.15880 0.01038 1.00000
Mn2 Mn 0.84120 0.84120 0.98962 1.00000
Mn3 Mn 0.50000 0.50000 0.00000 1.00000
Mn4 Mn 0.20567 0.20567 0.66341 1.00000
Mn5 Mn 0.79433 0.79433 0.33659 1.00000
In1 In 0.00000 0.00000 0.50000 1.00000
S1 S 0.07348 0.07348 0.83610 1.00000
S2 S 0.33243 0.33243 0.49249 1.00000
S3 S 0.25940 0.25940 0.16038 1.00000
S4 S 0.41345 0.41345 0.82800 1.00000
S5 S 0.58655 0.58655 0.17200 1.00000
S6 S 0.92652 0.92652 0.16390 1.00000
S7 S 0.74060 0.74060 0.83962 1.00000
S8 S 0.66757 0.66757 0.50751 1.00000
Get direct link