TeO2
Alexandria ALEXAlex-ID: agm002170519 · Space group: Ima2 (#46)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2_222_spg9
TeO2
2018-06-14 21:36:44
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002170519).
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
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# CIF generated by HEAS from Alexandria entry agm002170519
data_agm002170519
_cell_length_a 4.49745
_cell_length_b 7.00455
_cell_length_c 7.89604
_cell_angle_alpha 116.32520
_cell_angle_beta 106.53506
_cell_angle_gamma 90.01817
_cell_volume 211.39881
_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
Te1 Te 0.14106 0.89495 0.78956 1.00000
Te2 Te 0.85155 0.10556 0.21064 1.00000
Te3 Te 0.59035 0.62571 0.25017 1.00000
Te4 Te 0.84030 0.37560 0.75005 1.00000
O1 O 0.80834 0.95287 0.90686 1.00000
O2 O 0.15237 0.20243 0.79338 1.00000
O3 O 0.70909 0.76488 0.53033 1.00000
O4 O 0.85905 0.40921 0.20666 1.00000
O5 O 0.40155 0.04629 0.09335 1.00000
O6 O 0.86124 0.79923 0.20818 1.00000
O7 O 0.67881 0.23475 0.46988 1.00000
O8 O 0.15328 0.59103 0.79205 1.00000
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