KInO2
Alexandria ALEXAlex-ID: agm003124014 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_229_spg62
KInO2
2015-10-19 22:15:11
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003124014).
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 agm003124014
data_agm003124014
_cell_length_a 6.19800
_cell_length_b 3.77049
_cell_length_c 11.19294
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 261.57284
_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 0.42020 0.25000 0.37065 1.00000
K2 K 0.07980 0.75000 0.87065 1.00000
K3 K 0.57980 0.75000 0.62935 1.00000
K4 K 0.92020 0.25000 0.12935 1.00000
O1 O 0.83898 0.25000 0.46390 1.00000
O2 O 0.66102 0.75000 0.96390 1.00000
O3 O 0.16102 0.75000 0.53610 1.00000
O4 O 0.33898 0.25000 0.03610 1.00000
O5 O 0.33216 0.25000 0.74549 1.00000
O6 O 0.16784 0.75000 0.24549 1.00000
O7 O 0.66784 0.75000 0.25451 1.00000
O8 O 0.83216 0.25000 0.75451 1.00000
In1 In 0.06958 0.25000 0.62128 1.00000
In2 In 0.43042 0.75000 0.12128 1.00000
In3 In 0.93042 0.75000 0.37872 1.00000
In4 In 0.56958 0.25000 0.87872 1.00000
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