ScNbO4
Alexandria ALEXAlex-ID: agm002173757 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_7_spg141
ScNbO4
2018-06-15 19:20:25
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002173757).
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 agm002173757
data_agm002173757
_cell_length_a 5.00709
_cell_length_b 5.10007
_cell_length_c 6.38115
_cell_angle_alpha 111.96285
_cell_angle_beta 111.48581
_cell_angle_gamma 93.74359
_cell_volume 136.70652
_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
Sc1 Sc 0.37844 0.12843 0.75688 1.00000
Sc2 Sc 0.62156 0.87157 0.24312 1.00000
Nb1 Nb 0.86080 0.61078 0.72158 1.00000
Nb2 Nb 0.13920 0.38922 0.27842 1.00000
O1 O 0.43889 0.21098 0.43281 1.00000
O2 O 0.99392 0.72185 0.43283 1.00000
O3 O 0.56111 0.78902 0.56719 1.00000
O4 O 0.00608 0.27815 0.56717 1.00000
O5 O 0.77856 0.10633 0.07454 1.00000
O6 O 0.29593 0.46822 0.07452 1.00000
O7 O 0.22144 0.89367 0.92546 1.00000
O8 O 0.70407 0.53178 0.92548 1.00000
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