K(V5S8)3
Alexandria ALEXAlex-ID: agm006231503 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB15C24_4_spg2
V5S8 K3VS4 V2S3
2024-10-20 22:10:17
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006231503).
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 agm006231503
data_agm006231503
_cell_length_a 9.27996
_cell_length_b 9.46471
_cell_length_c 9.57681
_cell_angle_alpha 61.07115
_cell_angle_beta 74.01684
_cell_angle_gamma 79.22416
_cell_volume 706.28739
_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 0.00000 0.50000 0.50000 1.00000
V1 V 0.00000 0.00000 0.00000 1.00000
V2 V 0.26540 0.26701 0.28397 1.00000
V3 V 0.86320 0.01916 0.46416 1.00000
V4 V 0.57275 0.47951 0.19089 1.00000
V5 V 0.64926 0.27502 0.69593 1.00000
V6 V 0.13680 0.98084 0.53584 1.00000
V7 V 0.76588 0.29196 0.02886 1.00000
V8 V 0.73460 0.73299 0.71603 1.00000
V9 V 0.42725 0.52049 0.80911 1.00000
V10 V 0.19488 0.18023 0.02392 1.00000
V11 V 0.95170 0.12472 0.70589 1.00000
V12 V 0.04830 0.87528 0.29411 1.00000
V13 V 0.80512 0.81977 0.97608 1.00000
V14 V 0.23412 0.70804 0.97114 1.00000
V15 V 0.35074 0.72498 0.30407 1.00000
S1 S 0.24005 0.16742 0.56985 1.00000
S2 S 0.25191 0.91281 0.04831 1.00000
S3 S 0.00507 0.77012 0.58261 1.00000
S4 S 0.34890 0.59794 0.55828 1.00000
S5 S 0.65194 0.19609 0.31510 1.00000
S6 S 0.02282 0.27766 0.83283 1.00000
S7 S 0.72430 0.99723 0.71680 1.00000
S8 S 0.34806 0.80391 0.68490 1.00000
S9 S 0.65110 0.40206 0.44172 1.00000
S10 S 0.80893 0.55526 0.98511 1.00000
S11 S 0.41182 0.25527 0.82387 1.00000
S12 S 0.74809 0.08719 0.95169 1.00000
S13 S 0.70265 0.46881 0.75128 1.00000
S14 S 0.95147 0.13708 0.18016 1.00000
S15 S 0.49855 0.33010 0.07361 1.00000
S16 S 0.50145 0.66990 0.92639 1.00000
S17 S 0.04853 0.86292 0.81984 1.00000
S18 S 0.75995 0.83258 0.43015 1.00000
S19 S 0.29735 0.53119 0.24872 1.00000
S20 S 0.58818 0.74473 0.17613 1.00000
S21 S 0.19107 0.44474 0.01489 1.00000
S22 S 0.27570 0.00277 0.28320 1.00000
S23 S 0.97718 0.72234 0.16717 1.00000
S24 S 0.99493 0.22988 0.41739 1.00000
