Mn2S17
Alexandria ALEXAlex-ID: agm040243170 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B17_38_spg1
MnS15 MnS2
2024-09-13 13:07:56.120600
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm040243170).
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 agm040243170
data_agm040243170
_cell_length_a 6.25137
_cell_length_b 6.88012
_cell_length_c 14.01583
_cell_angle_alpha 93.79649
_cell_angle_beta 111.88526
_cell_angle_gamma 89.64079
_cell_volume 558.04137
_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 0.97021 0.28716 0.00068 1.00000
Mn2 Mn 0.97210 0.73294 0.00130 1.00000
S1 S 0.15585 0.19528 0.45937 1.00000
S2 S 0.89135 0.47892 0.75267 1.00000
S3 S 0.38025 0.99878 0.91665 1.00000
S4 S 0.14579 0.54277 0.25913 1.00000
S5 S 0.99077 0.72500 0.54952 1.00000
S6 S 0.72954 0.01033 0.99851 1.00000
S7 S 0.29918 0.38968 0.58782 1.00000
S8 S 0.40766 0.09585 0.59049 1.00000
S9 S 0.87127 0.73655 0.82530 1.00000
S10 S 0.87357 0.23894 0.82455 1.00000
S11 S 0.24491 0.51139 0.02770 1.00000
S12 S 0.69571 0.50883 0.97708 1.00000
S13 S 0.03213 0.28845 0.17599 1.00000
S14 S 0.03801 0.77811 0.17736 1.00000
S15 S 0.72681 0.58761 0.42419 1.00000
S16 S 0.83400 0.88014 0.42036 1.00000
S17 S 0.24091 0.01327 0.03134 1.00000
Get direct link