MoS18
Alexandria ALEXAlex-ID: agm067883283 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB18_6_spg1
MoS18
2024-09-13 13:06:52.371504
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm067883283).
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 agm067883283
data_agm067883283
_cell_length_a 8.46726
_cell_length_b 8.41468
_cell_length_c 10.37246
_cell_angle_alpha 93.42394
_cell_angle_beta 68.79808
_cell_angle_gamma 82.37175
_cell_volume 678.25221
_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
Mo1 Mo 0.98209 0.09855 0.96756 1.00000
S1 S 0.27888 0.35267 0.78267 1.00000
S2 S 0.25438 0.66688 0.47170 1.00000
S3 S 0.26990 0.74631 0.16491 1.00000
S4 S 0.55215 0.85320 0.28226 1.00000
S5 S 0.63533 0.08167 0.58776 1.00000
S6 S 0.73044 0.09249 0.86919 1.00000
S7 S 0.53683 0.26132 0.98667 1.00000
S8 S 0.47111 0.29234 0.59043 1.00000
S9 S 0.82188 0.14317 0.65065 1.00000
S10 S 0.53137 0.74795 0.10500 1.00000
S11 S 0.51493 0.67108 0.41214 1.00000
S12 S 0.23190 0.56387 0.29409 1.00000
S13 S 0.29020 0.99502 0.91591 1.00000
S14 S 0.97343 0.24496 0.16356 1.00000
S15 S 0.06277 0.26100 0.78455 1.00000
S16 S 0.73908 0.25567 0.13509 1.00000
S17 S 0.16865 0.85052 0.83226 1.00000
S18 S 0.95467 0.82132 0.00361 1.00000
Get direct link