LiTl6Si2O7
Alexandria ALEXAlex-ID: agm005287928 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6D7_14_spg1
Tl6Si2O7 Li2SiO3 Li4SiO4 Tl
2023-05-07 06:25:07.213535
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005287928).
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 agm005287928
data_agm005287928
_cell_length_a 5.20469
_cell_length_b 8.73391
_cell_length_c 8.97399
_cell_angle_alpha 116.53923
_cell_angle_beta 94.57306
_cell_angle_gamma 87.10247
_cell_volume 363.73577
_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
Li1 Li 0.70903 0.89356 0.40296 1.00000
Tl1 Tl 0.72343 0.35689 0.26692 1.00000
Tl2 Tl 0.71557 0.68975 0.03970 1.00000
Tl3 Tl 0.61663 0.94126 0.73681 1.00000
Tl4 Tl 0.15477 0.59369 0.68320 1.00000
Tl5 Tl 0.21467 0.28098 0.91153 1.00000
Tl6 Tl 0.16054 0.10943 0.40009 1.00000
Si1 Si 0.22121 0.66864 0.30618 1.00000
Si2 Si 0.69346 0.30477 0.66297 1.00000
O1 O 0.32740 0.57999 0.12043 1.00000
O2 O 0.40029 0.82299 0.44258 1.00000
O3 O 0.09800 0.54754 0.37442 1.00000
O4 O 0.81193 0.40054 0.85923 1.00000
O5 O 0.79460 0.10163 0.57831 1.00000
O6 O 0.79580 0.39868 0.55527 1.00000
O7 O 0.37366 0.31438 0.66172 1.00000
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