Y2TeO6
Alexandria ALEXAlex-ID: agm003244752 · Space group: P2/c (#13)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_39_spg13
Y2TeO6
2021-12-17 18:50:34.365078
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003244752).
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 agm003244752
data_agm003244752
_cell_length_a 5.45584
_cell_length_b 7.72634
_cell_length_c 11.52314
_cell_angle_alpha 76.18678
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 471.69462
_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 0.74374 0.00000 0.75000 1.00000
Y2 Y 0.25626 0.00000 0.25000 1.00000
Y3 Y 0.19038 0.78585 0.57715 1.00000
Y4 Y 0.80962 0.78585 0.07715 1.00000
Y5 Y 0.68773 0.50000 0.75000 1.00000
Y6 Y 0.31227 0.50000 0.25000 1.00000
Y7 Y 0.19038 0.21415 0.92285 1.00000
Y8 Y 0.80962 0.21415 0.42285 1.00000
Te1 Te 0.25744 0.72798 0.88406 1.00000
Te2 Te 0.74256 0.72798 0.38406 1.00000
Te3 Te 0.25744 0.27202 0.61594 1.00000
Te4 Te 0.74256 0.27202 0.11594 1.00000
O1 O 0.05707 0.94255 0.89368 1.00000
O2 O 0.54086 0.84674 0.93057 1.00000
O3 O 0.94293 0.94255 0.39368 1.00000
O4 O 0.44995 0.79444 0.72885 1.00000
O5 O 0.45914 0.84674 0.43057 1.00000
O6 O 0.97923 0.70732 0.77461 1.00000
O7 O 0.55005 0.79444 0.22885 1.00000
O8 O 0.85052 0.64149 0.54800 1.00000
O9 O 0.37196 0.49388 0.88399 1.00000
O10 O 0.02077 0.70732 0.27461 1.00000
O11 O 0.37196 0.50612 0.61601 1.00000
O12 O 0.85052 0.35851 0.95200 1.00000
O13 O 0.14948 0.64149 0.04800 1.00000
O14 O 0.62804 0.49388 0.38399 1.00000
O15 O 0.97923 0.29268 0.72539 1.00000
O16 O 0.62804 0.50612 0.11601 1.00000
O17 O 0.14948 0.35851 0.45200 1.00000
O18 O 0.44995 0.20556 0.77115 1.00000
O19 O 0.02077 0.29268 0.22539 1.00000
O20 O 0.54086 0.15326 0.56943 1.00000
O21 O 0.55005 0.20556 0.27115 1.00000
O22 O 0.05707 0.05745 0.60632 1.00000
O23 O 0.45914 0.15326 0.06943 1.00000
O24 O 0.94293 0.05745 0.10632 1.00000
