Th2Si2O7
Alexandria ALEXAlex-ID: agm002175693 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C7_124_spg12
ThSiO4 Si ThO2
2018-06-16 10:17:30
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002175693).
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 agm002175693
data_agm002175693
_cell_length_a 5.11518
_cell_length_b 5.63673
_cell_length_c 5.63673
_cell_angle_alpha 97.37640
_cell_angle_beta 93.66815
_cell_angle_gamma 93.66815
_cell_volume 160.41949
_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
Si1 Si 0.42461 0.21315 0.21315 1.00000
Si2 Si 0.57539 0.78685 0.78685 1.00000
O1 O 0.75539 0.90848 0.59288 1.00000
O2 O 0.24461 0.40712 0.09152 1.00000
O3 O 0.24461 0.09152 0.40712 1.00000
O4 O 0.75539 0.59288 0.90848 1.00000
O5 O 0.50000 0.00000 0.00000 1.00000
O6 O 0.30507 0.64977 0.64977 1.00000
O7 O 0.69493 0.35023 0.35023 1.00000
Th1 Th 0.00000 0.30576 0.69424 1.00000
Th2 Th 1.00000 0.69424 0.30576 1.00000
Get direct link