K8InS4
Alexandria ALEXAlex-ID: agm097323971 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_785_spg1
K2S In
2025-06-19 08:49:56
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097323971).
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 agm097323971
data_agm097323971
_cell_length_a 4.43036
_cell_length_b 10.88801
_cell_length_c 12.04885
_cell_angle_alpha 56.45790
_cell_angle_beta 83.86427
_cell_angle_gamma 89.29062
_cell_volume 480.88662
_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 0.26383 0.04349 0.25967 1.00000
K2 K 0.40823 0.61034 0.11901 1.00000
K3 K 0.14688 0.70602 0.62843 1.00000
K4 K 0.84027 0.29188 0.68812 1.00000
K5 K 0.81280 0.70092 0.33723 1.00000
K6 K 0.81661 0.25255 0.41455 1.00000
K7 K 0.45283 0.39916 0.95269 1.00000
K8 K 0.52538 0.85795 0.76897 1.00000
In1 In 0.36080 0.00145 0.98420 1.00000
S1 S 0.88716 0.15277 0.00033 1.00000
S2 S 0.96618 0.61147 0.93229 1.00000
S3 S 0.32197 0.44653 0.44167 1.00000
S4 S 0.69707 0.92547 0.47285 1.00000
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