NbInO4
Alexandria ALEXAlex-ID: agm002173544 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_98_spg12
NbInO4
2018-06-15 18:28:08
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002173544).
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 agm002173544
data_agm002173544
_cell_length_a 3.93501
_cell_length_b 7.00872
_cell_length_c 7.07668
_cell_angle_alpha 106.74473
_cell_angle_beta 90.00073
_cell_angle_gamma 106.30191
_cell_volume 178.68499
_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
Nb1 Nb 0.09646 0.19672 0.21940 1.00000
Nb2 Nb 0.89973 0.80327 0.78059 1.00000
O1 O 0.86848 0.74085 0.51090 1.00000
O2 O 0.12767 0.25917 0.48910 1.00000
O3 O 0.94790 0.89959 0.13045 1.00000
O4 O 0.04829 0.10041 0.86955 1.00000
O5 O 0.24471 0.49322 0.14733 1.00000
O6 O 0.75149 0.50678 0.85267 1.00000
O7 O 0.37000 0.74382 0.80251 1.00000
O8 O 0.62618 0.25617 0.19749 1.00000
In1 In 0.19194 0.38766 0.79930 1.00000
In2 In 0.80426 0.61234 0.20070 1.00000
Get direct link