Te6WO12
Alexandria ALEXAlex-ID: agm006110111 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C12_248_spg148
WO3 Te TeO2
2023-09-04 06:09:00.892442
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006110111).
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 agm006110111
data_agm006110111
_cell_length_a 8.12521
_cell_length_b 8.15129
_cell_length_c 8.11898
_cell_angle_alpha 113.86992
_cell_angle_beta 113.61171
_cell_angle_gamma 114.14718
_cell_volume 329.66795
_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 0.14494 0.21126 0.50402 1.00000
Te2 Te 0.79088 0.49718 0.85532 1.00000
Te3 Te 0.49619 0.85555 0.78920 1.00000
Te4 Te 0.85506 0.78874 0.49598 1.00000
Te5 Te 0.20912 0.50282 0.14468 1.00000
Te6 Te 0.50381 0.14445 0.21080 1.00000
W1 W 0.00000 0.00000 0.00000 1.00000
O1 O 0.78180 0.39448 0.58826 1.00000
O2 O 0.39502 0.58864 0.77968 1.00000
O3 O 0.58772 0.77818 0.39600 1.00000
O4 O 0.21820 0.60552 0.41174 1.00000
O5 O 0.60498 0.41136 0.22032 1.00000
O6 O 0.41228 0.22182 0.60400 1.00000
O7 O 0.90488 0.81278 0.29163 1.00000
O8 O 0.70763 0.09456 0.18663 1.00000
O9 O 0.18847 0.70737 0.09460 1.00000
O10 O 0.09512 0.18722 0.70837 1.00000
O11 O 0.29237 0.90544 0.81337 1.00000
O12 O 0.81153 0.29263 0.90540 1.00000
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