MgS9
Alexandria ALEXAlex-ID: agm012773141 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB9_188_spg1
MgS2 MgS18
2025-02-13 12:50:42.622249
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm012773141).
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 agm012773141
data_agm012773141
_cell_length_a 7.72959
_cell_length_b 11.17741
_cell_length_c 7.51771
_cell_angle_alpha 74.10188
_cell_angle_beta 103.60980
_cell_angle_gamma 112.13301
_cell_volume 572.23554
_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
Mg1 Mg 0.30918 0.10621 0.95450 1.00000
Mg2 Mg 0.70128 0.98964 0.29888 1.00000
S1 S 0.00476 0.48700 0.03774 1.00000
S2 S 0.61557 0.64966 0.63156 1.00000
S3 S 0.35010 0.13150 0.40296 1.00000
S4 S 0.61153 0.94658 0.76327 1.00000
S5 S 0.99850 0.60960 0.39625 1.00000
S6 S 0.31561 0.35547 0.77562 1.00000
S7 S 0.55690 0.17581 0.23606 1.00000
S8 S 0.59311 0.04830 0.94895 1.00000
S9 S 0.55809 0.46039 0.62999 1.00000
S10 S 0.05982 0.47105 0.33012 1.00000
S11 S 0.10278 0.09827 0.20496 1.00000
S12 S 0.06866 0.97878 0.73812 1.00000
S13 S 0.93548 0.90267 0.25736 1.00000
S14 S 0.85233 0.05557 0.63344 1.00000
S15 S 0.26191 0.57794 0.94652 1.00000
S16 S 0.46440 0.73422 0.37276 1.00000
S17 S 0.38924 0.43535 0.00989 1.00000
S18 S 0.25074 0.78599 0.40173 1.00000
Get direct link