Y2TeO6
Alexandria ALEXAlex-ID: agm003244751 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_11_spg15
Y2TeO6
2021-12-17 20:33:34.133304
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003244751).
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 agm003244751
data_agm003244751
_cell_length_a 9.84004
_cell_length_b 9.84004
_cell_length_c 5.44100
_cell_angle_alpha 76.63036
_cell_angle_beta 76.63036
_cell_angle_gamma 69.61625
_cell_volume 473.85414
_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 0.78482 0.56356 0.11197 1.00000
Y2 Y 0.56356 0.78482 0.61197 1.00000
Y3 Y 0.39553 0.60447 0.25000 1.00000
Y4 Y 0.88072 0.11928 0.25000 1.00000
Y5 Y 0.60447 0.39553 0.75000 1.00000
Y6 Y 0.11928 0.88072 0.75000 1.00000
Y7 Y 0.43644 0.21518 0.38803 1.00000
Y8 Y 0.21518 0.43644 0.88803 1.00000
Te1 Te 0.00116 0.68796 0.42581 1.00000
Te2 Te 0.68796 0.00116 0.92581 1.00000
Te3 Te 0.31204 0.99884 0.07419 1.00000
Te4 Te 0.99884 0.31204 0.57419 1.00000
O1 O 0.96212 0.88124 0.48386 1.00000
O2 O 0.88124 0.96212 0.98386 1.00000
O3 O 0.81356 0.71689 0.34826 1.00000
O4 O 0.54827 0.96617 0.22920 1.00000
O5 O 0.71689 0.81356 0.84826 1.00000
O6 O 0.96617 0.54827 0.72920 1.00000
O7 O 0.31568 0.88109 0.40619 1.00000
O8 O 0.57647 0.60605 0.42113 1.00000
O9 O 0.81648 0.35117 0.43256 1.00000
O10 O 0.88109 0.31568 0.90619 1.00000
O11 O 0.60605 0.57647 0.92113 1.00000
O12 O 0.35117 0.81648 0.93256 1.00000
O13 O 0.64883 0.18352 0.06744 1.00000
O14 O 0.39395 0.42353 0.07887 1.00000
O15 O 0.11891 0.68432 0.09381 1.00000
O16 O 0.18352 0.64883 0.56744 1.00000
O17 O 0.42353 0.39395 0.57887 1.00000
O18 O 0.68432 0.11891 0.59381 1.00000
O19 O 0.03383 0.45173 0.27080 1.00000
O20 O 0.28311 0.18644 0.15174 1.00000
O21 O 0.45173 0.03383 0.77080 1.00000
O22 O 0.18644 0.28311 0.65174 1.00000
O23 O 0.11876 0.03788 0.01614 1.00000
O24 O 0.03788 0.11876 0.51614 1.00000
