KInO2
Alexandria ALEXAlex-ID: agm003613596 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_7774_spg15
KInO2
2022-04-14 19:37:32.848832
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003613596).
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 agm003613596
data_agm003613596
_cell_length_a 5.79300
_cell_length_b 6.44213
_cell_length_c 8.23516
_cell_angle_alpha 107.36677
_cell_angle_beta 104.40020
_cell_angle_gamma 105.27265
_cell_volume 264.47617
_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 0.43430 0.68430 0.36859 1.00000
K2 K 0.18629 0.43629 0.87258 1.00000
K3 K 0.56570 0.31570 0.63141 1.00000
K4 K 0.81371 0.56371 0.12742 1.00000
In1 In 0.31447 0.06447 0.12894 1.00000
In2 In 0.68553 0.93553 0.87106 1.00000
In3 In 0.09344 0.84344 0.68689 1.00000
In4 In 0.90656 0.15656 0.31311 1.00000
O1 O 0.56576 0.86315 0.10820 1.00000
O2 O 0.04244 0.24505 0.10820 1.00000
O3 O 0.43424 0.13685 0.89180 1.00000
O4 O 0.95756 0.75495 0.89180 1.00000
O5 O 0.32125 0.64776 0.65120 1.00000
O6 O 0.17006 0.99656 0.34880 1.00000
O7 O 0.67875 0.35224 0.34880 1.00000
O8 O 0.82994 0.00344 0.65120 1.00000
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