K5InO4
Alexandria ALEXAlex-ID: agm034776534 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C5_1270_spg14
K5InO4
2024-11-08 13:57:26.943585
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034776534).
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 agm034776534
data_agm034776534
_cell_length_a 11.37773
_cell_length_b 6.67961
_cell_length_c 11.68359
_cell_angle_alpha 74.83193
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 857.00465
_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 0.58528 0.43338 0.61989 1.00000
K2 K 0.08528 0.56662 0.88011 1.00000
K3 K 0.41472 0.56662 0.38011 1.00000
K4 K 0.84996 0.93225 0.08358 1.00000
K5 K 0.91472 0.43338 0.11989 1.00000
K6 K 0.15004 0.06775 0.91642 1.00000
K7 K 0.65004 0.93225 0.58358 1.00000
K8 K 0.34996 0.06775 0.41642 1.00000
K9 K 0.84350 0.48127 0.73269 1.00000
K10 K 0.92670 0.00024 0.72047 1.00000
K11 K 0.57330 0.00024 0.22047 1.00000
K12 K 0.15650 0.51873 0.26731 1.00000
K13 K 0.90647 0.27259 0.43509 1.00000
K14 K 0.34350 0.51873 0.76731 1.00000
K15 K 0.59353 0.27259 0.93509 1.00000
K16 K 0.42670 0.99976 0.77953 1.00000
K17 K 0.40647 0.72741 0.06491 1.00000
K18 K 0.07330 0.99976 0.27953 1.00000
K19 K 0.09353 0.72741 0.56491 1.00000
K20 K 0.65650 0.48127 0.23269 1.00000
In1 In 0.30847 0.19034 0.12237 1.00000
In2 In 0.19153 0.19034 0.62237 1.00000
In3 In 0.69153 0.80966 0.87763 1.00000
In4 In 0.80847 0.80966 0.37763 1.00000
O1 O 0.36718 0.16939 0.95547 1.00000
O2 O 0.13282 0.16939 0.45547 1.00000
O3 O 0.86718 0.83061 0.54453 1.00000
O4 O 0.13539 0.31400 0.09380 1.00000
O5 O 0.29744 0.88249 0.23804 1.00000
O6 O 0.86461 0.68600 0.90620 1.00000
O7 O 0.63539 0.68600 0.40620 1.00000
O8 O 0.20256 0.88249 0.73804 1.00000
O9 O 0.70256 0.11751 0.76196 1.00000
O10 O 0.07743 0.34208 0.71641 1.00000
O11 O 0.42257 0.34208 0.21641 1.00000
O12 O 0.79744 0.11751 0.26196 1.00000
O13 O 0.63282 0.83061 0.04453 1.00000
O14 O 0.92257 0.65792 0.28359 1.00000
O15 O 0.36461 0.31400 0.59380 1.00000
O16 O 0.57743 0.65792 0.78359 1.00000
