MnS9
Alexandria ALEXAlex-ID: agm063841864 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB9_80_spg8
MnS15 MnS2
2024-09-22 03:33:07.580540
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm063841864).
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
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# CIF generated by HEAS from Alexandria entry agm063841864
data_agm063841864
_cell_length_a 8.01037
_cell_length_b 8.01037
_cell_length_c 9.83147
_cell_angle_alpha 73.40252
_cell_angle_beta 73.40252
_cell_angle_gamma 26.95747
_cell_volume 273.36558
_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 0.97243 0.97243 0.07501 1.00000
S1 S 0.18787 0.18787 0.63982 1.00000
S2 S 0.01006 0.01006 0.28956 1.00000
S3 S 0.91514 0.91514 0.87998 1.00000
S4 S 0.82380 0.82380 0.21920 1.00000
S5 S 0.53370 0.53370 0.02093 1.00000
S6 S 0.75248 0.75248 0.61000 1.00000
S7 S 0.56372 0.56372 0.33070 1.00000
S8 S 0.43801 0.43801 0.76932 1.00000
S9 S 0.27457 0.27457 0.16547 1.00000
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