MnS5
Alexandria ALEXAlex-ID: agm005546477 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5_733_spg11
MnS15 MnS2
2023-05-29 20:57:24.801852
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005546477).
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 agm005546477
data_agm005546477
_cell_length_a 4.79044
_cell_length_b 3.87232
_cell_length_c 16.81752
_cell_angle_alpha 90.00125
_cell_angle_beta 89.99701
_cell_angle_gamma 125.10555
_cell_volume 255.21804
_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 0.66003 0.50106 0.24999 1.00000
Mn2 Mn 0.33997 0.49894 0.75001 1.00000
S1 S 0.30394 0.75608 0.25000 1.00000
S2 S 0.69606 0.24392 0.75000 1.00000
S3 S 0.84413 0.66264 0.38078 1.00000
S4 S 0.15585 0.33740 0.88079 1.00000
S5 S 0.15587 0.33736 0.61922 1.00000
S6 S 0.84415 0.66260 0.11921 1.00000
S7 S 0.45973 0.59661 0.44591 1.00000
S8 S 0.54021 0.40335 0.94591 1.00000
S9 S 0.54027 0.40339 0.55409 1.00000
S10 S 0.45979 0.59665 0.05409 1.00000
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