K4MgS8
Alexandria ALEXAlex-ID: agm097525697 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_1385_spg5
K2S3 KS3 MgS
2025-06-22 02:43:22
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097525697).
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 agm097525697
data_agm097525697
_cell_length_a 4.70571
_cell_length_b 9.63820
_cell_length_c 9.54109
_cell_angle_alpha 111.23148
_cell_angle_beta 90.24480
_cell_angle_gamma 94.60601
_cell_volume 401.79827
_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
K1 K 0.94658 0.86249 0.83422 1.00000
K2 K 0.98474 0.02653 0.49811 1.00000
K3 K 0.04277 0.38961 0.89345 1.00000
K4 K 0.06740 0.49191 0.36878 1.00000
Mg1 Mg 0.52350 0.13166 0.20858 1.00000
S1 S 0.53379 0.30527 0.46071 1.00000
S2 S 0.49882 0.10977 0.95328 1.00000
S3 S 0.57586 0.72645 0.32101 1.00000
S4 S 0.41891 0.72142 0.97624 1.00000
S5 S 0.53235 0.34012 0.10515 1.00000
S6 S 0.52200 0.23682 0.64662 1.00000
S7 S 0.38362 0.85943 0.19328 1.00000
S8 S 0.46965 0.79852 0.54055 1.00000
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