Y(TeO3)2
Alexandria ALEXAlex-ID: agm005653165 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_3037_spg15
Y2TeO6 TeO2
2023-07-09 04:54:14.638220
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005653165).
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 agm005653165
data_agm005653165
_cell_length_a 7.76756
_cell_length_b 7.04537
_cell_length_c 7.04537
_cell_angle_alpha 71.74700
_cell_angle_beta 67.94568
_cell_angle_gamma 67.94568
_cell_volume 324.47534
_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
Y1 Y 0.25000 0.07574 0.92426 1.00000
Y2 Y 0.75000 0.92426 0.07574 1.00000
Te1 Te 0.23461 0.66710 0.72183 1.00000
Te2 Te 0.26539 0.27817 0.33290 1.00000
Te3 Te 0.76539 0.33290 0.27817 1.00000
Te4 Te 0.73461 0.72183 0.66710 1.00000
O1 O 0.51110 0.61907 0.72344 1.00000
O2 O 0.98890 0.27656 0.38093 1.00000
O3 O 0.48890 0.38093 0.27656 1.00000
O4 O 0.01110 0.72344 0.61907 1.00000
O5 O 0.72996 0.88500 0.40080 1.00000
O6 O 0.77004 0.59920 0.11500 1.00000
O7 O 0.27004 0.11500 0.59920 1.00000
O8 O 0.22996 0.40080 0.88500 1.00000
O9 O 0.10163 0.82088 0.94124 1.00000
O10 O 0.39837 0.05876 0.17912 1.00000
O11 O 0.89837 0.17912 0.05876 1.00000
O12 O 0.60163 0.94124 0.82088 1.00000
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