KVRhO4
Alexandria ALEXAlex-ID: agm005050992 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD4_632_spg11
K2V3O8 KVO3 K(RhO2)4 Rh
2022-07-16 04:07:11.617978
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005050992).
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 agm005050992
data_agm005050992
_cell_length_a 5.57481
_cell_length_b 5.66950
_cell_length_c 7.13407
_cell_angle_alpha 90.00000
_cell_angle_beta 104.86480
_cell_angle_gamma 90.00000
_cell_volume 217.93631
_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 0.73525 0.75000 0.96048 1.00000
K2 K 0.26475 0.25000 0.03952 1.00000
V1 V 0.25677 0.75000 0.36685 1.00000
V2 V 0.74323 0.25000 0.63315 1.00000
Rh1 Rh 0.75739 0.75000 0.47217 1.00000
Rh2 Rh 0.24261 0.25000 0.52783 1.00000
O1 O 0.95061 0.49033 0.68780 1.00000
O2 O 0.04939 0.99033 0.31220 1.00000
O3 O 0.04939 0.50967 0.31220 1.00000
O4 O 0.95061 0.00967 0.68780 1.00000
O5 O 0.45545 0.75000 0.20894 1.00000
O6 O 0.54455 0.25000 0.79106 1.00000
O7 O 0.47614 0.75000 0.60020 1.00000
O8 O 0.52386 0.25000 0.39980 1.00000
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