K2Sc9O19
Alexandria ALEXAlex-ID: agm007992844 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B9C19_1_spg12
K2O3 Sc2O3 KO4
2024-07-12 06:22:19.255496
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007992844).
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 agm007992844
data_agm007992844
_cell_length_a 7.00926
_cell_length_b 7.00926
_cell_length_c 16.93573
_cell_angle_alpha 69.85989
_cell_angle_beta 69.85989
_cell_angle_gamma 34.19550
_cell_volume 436.23021
_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 0.67280 0.67280 0.03011 1.00000
K2 K 0.32720 0.32720 0.96989 1.00000
Sc1 Sc 0.86701 0.86701 0.63116 1.00000
Sc2 Sc 0.13299 0.13299 0.36884 1.00000
Sc3 Sc 0.04432 0.04432 0.22224 1.00000
Sc4 Sc 0.83086 0.83086 0.38261 1.00000
Sc5 Sc 0.24525 0.24525 0.78502 1.00000
Sc6 Sc 0.00000 0.00000 0.00000 1.00000
Sc7 Sc 0.75475 0.75475 0.21498 1.00000
Sc8 Sc 0.95568 0.95568 0.77776 1.00000
Sc9 Sc 0.16914 0.16914 0.61739 1.00000
O1 O 0.79476 0.79476 0.75997 1.00000
O2 O 0.82226 0.82226 0.51908 1.00000
O3 O 0.88161 0.88161 0.25613 1.00000
O4 O 0.71713 0.71713 0.58403 1.00000
O5 O 0.11839 0.11839 0.74387 1.00000
O6 O 0.17774 0.17774 0.48092 1.00000
O7 O 0.28287 0.28287 0.41597 1.00000
O8 O 0.06777 0.06777 0.09612 1.00000
O9 O 0.59269 0.59269 0.20418 1.00000
O10 O 0.20524 0.20524 0.24003 1.00000
O11 O 0.83993 0.83993 0.08743 1.00000
O12 O 0.67829 0.67829 0.36091 1.00000
O13 O 0.32171 0.32171 0.63909 1.00000
O14 O 0.40731 0.40731 0.79582 1.00000
O15 O 0.50000 0.50000 0.00000 1.00000
O16 O 0.98999 0.98999 0.36066 1.00000
O17 O 0.01001 0.01001 0.63934 1.00000
O18 O 0.93223 0.93223 0.90388 1.00000
O19 O 0.16007 0.16007 0.91257 1.00000
