Nb(TeO4)2
Alexandria ALEXAlex-ID: agm005867494 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_1810_spg12
Te2O5 TeO3 Nb2O5
2023-09-28 12:47:32
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005867494).
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 agm005867494
data_agm005867494
_cell_length_a 8.49470
_cell_length_b 5.29360
_cell_length_c 6.87969
_cell_angle_alpha 101.98261
_cell_angle_beta 128.12470
_cell_angle_gamma 90.00000
_cell_volume 234.73757
_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 0.00000 0.00000 0.00000 1.00000
Te1 Te 0.20545 0.70759 0.41090 1.00000
Te2 Te 0.79455 0.29241 0.58910 1.00000
O1 O 0.73901 0.15687 0.78670 1.00000
O2 O 0.04769 0.15687 0.78670 1.00000
O3 O 0.26099 0.84313 0.21330 1.00000
O4 O 0.62169 0.20478 0.24337 1.00000
O5 O 0.95231 0.84313 0.21330 1.00000
O6 O 0.14236 0.33630 0.28471 1.00000
O7 O 0.85764 0.66370 0.71529 1.00000
O8 O 0.37831 0.79522 0.75663 1.00000
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