Tl6Si2O7
Alexandria ALEXAlex-ID: agm003239393 · Space group: P-3 (#147)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B6C7_19_spg147
Tl6Si2O7
2021-12-23 23:36:27.928285
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003239393).
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 agm003239393
data_agm003239393
_cell_length_a 9.90779
_cell_length_b 9.90786
_cell_length_c 8.14968
_cell_angle_alpha 90.00030
_cell_angle_beta 89.99980
_cell_angle_gamma 120.00127
_cell_volume 692.82302
_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
O1 O 0.15045 0.55342 0.11494 1.00000
O2 O 0.44658 0.59703 0.11495 1.00000
O3 O 0.40298 0.84955 0.11494 1.00000
O4 O 0.84955 0.44658 0.88506 1.00000
O5 O 0.55342 0.40297 0.88505 1.00000
O6 O 0.59702 0.15045 0.88506 1.00000
O7 O 0.15164 0.54847 0.63590 1.00000
O8 O 0.45153 0.60317 0.63590 1.00000
O9 O 0.39684 0.84837 0.63590 1.00000
O10 O 0.84836 0.45153 0.36410 1.00000
O11 O 0.54847 0.39683 0.36410 1.00000
O12 O 0.60316 0.15163 0.36410 1.00000
O13 O 0.33333 0.66667 0.37523 1.00000
O14 O 0.66667 0.33333 0.62477 1.00000
Si1 Si 0.33334 0.66667 0.16985 1.00000
Si2 Si 0.66666 0.33333 0.83015 1.00000
Si3 Si 0.33334 0.66667 0.58026 1.00000
Si4 Si 0.66666 0.33333 0.41974 1.00000
Tl1 Tl 0.36306 0.31029 0.12008 1.00000
Tl2 Tl 0.68972 0.05278 0.12008 1.00000
Tl3 Tl 0.94723 0.63694 0.12008 1.00000
Tl4 Tl 0.63694 0.68971 0.87992 1.00000
Tl5 Tl 0.31028 0.94722 0.87992 1.00000
Tl6 Tl 0.05277 0.36306 0.87992 1.00000
Tl7 Tl 0.35423 0.32020 0.63109 1.00000
Tl8 Tl 0.67980 0.03404 0.63109 1.00000
Tl9 Tl 0.96597 0.64576 0.63109 1.00000
Tl10 Tl 0.64577 0.67980 0.36891 1.00000
Tl11 Tl 0.32020 0.96596 0.36891 1.00000
Tl12 Tl 0.03403 0.35424 0.36891 1.00000
