K3Sb7(SO3)3
Alexandria ALEXAlex-ID: agm003276604 · Space group: P6_3 (#173)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B3C7D9_0_spg173
KSb3O5 KSbS2 Sb2O3
2022-05-20 06:50:13.894459
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003276604).
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 agm003276604
data_agm003276604
_cell_length_a 5.72737
_cell_length_b 14.64290
_cell_length_c 14.64290
_cell_angle_alpha 120.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 1063.50598
_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 0.85403 0.09705 0.29347 1.00000
K2 K 0.85403 0.70653 0.80357 1.00000
K3 K 0.35403 0.90295 0.70653 1.00000
K4 K 0.35403 0.80357 0.09705 1.00000
K5 K 0.35403 0.29347 0.19643 1.00000
K6 K 0.85403 0.19643 0.90295 1.00000
Sb1 Sb 0.34648 0.27138 0.44752 1.00000
Sb2 Sb 0.84648 0.44752 0.17614 1.00000
Sb3 Sb 0.35942 0.00534 0.39434 1.00000
Sb4 Sb 0.35942 0.38900 0.99466 1.00000
Sb5 Sb 0.85942 0.99466 0.60566 1.00000
Sb6 Sb 0.35942 0.60566 0.61100 1.00000
Sb7 Sb 0.34648 0.17614 0.72862 1.00000
Sb8 Sb 0.85942 0.61100 0.00534 1.00000
Sb9 Sb 0.85942 0.39434 0.38900 1.00000
Sb10 Sb 0.84648 0.72862 0.55248 1.00000
Sb11 Sb 0.34648 0.55248 0.82386 1.00000
Sb12 Sb 0.84648 0.82386 0.27138 1.00000
Sb13 Sb 0.27166 0.66667 0.33333 1.00000
Sb14 Sb 0.77166 0.33333 0.66667 1.00000
S1 S 0.45433 0.53637 0.36871 1.00000
S2 S 0.95433 0.16767 0.53637 1.00000
S3 S 0.95433 0.46363 0.63129 1.00000
S4 S 0.45433 0.83233 0.46363 1.00000
S5 S 0.95433 0.36871 0.83233 1.00000
S6 S 0.45433 0.63129 0.16767 1.00000
O1 O 0.87260 0.76815 0.11546 1.00000
O2 O 0.60392 0.63876 0.92941 1.00000
O3 O 0.87260 0.88454 0.65268 1.00000
O4 O 0.37260 0.11546 0.34732 1.00000
O5 O 0.10429 0.28124 0.35425 1.00000
O6 O 0.60392 0.29065 0.36124 1.00000
O7 O 0.10392 0.70935 0.63876 1.00000
O8 O 0.60429 0.71876 0.64575 1.00000
O9 O 0.10429 0.07301 0.71876 1.00000
O10 O 0.10429 0.64575 0.92699 1.00000
O11 O 0.87260 0.34732 0.23185 1.00000
O12 O 0.37260 0.23185 0.88454 1.00000
O13 O 0.10392 0.92941 0.29065 1.00000
O14 O 0.37260 0.65268 0.76815 1.00000
O15 O 0.60429 0.92699 0.28124 1.00000
O16 O 0.10392 0.36124 0.07059 1.00000
O17 O 0.60429 0.35425 0.07301 1.00000
O18 O 0.60392 0.07059 0.70935 1.00000
