SiO4
Alexandria ALEXAlex-ID: agm005284385 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4_575_spg1
Si6O13 O2
2023-05-07 03:09:22.608541
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005284385).
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 agm005284385
data_agm005284385
_cell_length_a 5.19027
_cell_length_b 5.09298
_cell_length_c 10.91756
_cell_angle_alpha 91.79066
_cell_angle_beta 96.80220
_cell_angle_gamma 119.69988
_cell_volume 247.56069
_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 0.06996 0.99631 0.87249 1.00000
Si2 Si 0.77475 0.35251 0.96950 1.00000
Si3 Si 0.88973 0.69442 0.59775 1.00000
O1 O 0.62529 0.36176 0.57812 1.00000
O2 O 0.42657 0.74530 0.63502 1.00000
O3 O 0.88076 0.92766 0.47757 1.00000
O4 O 0.41917 0.12033 0.92669 1.00000
O5 O 0.02369 0.92477 0.72230 1.00000
O6 O 0.25539 0.50475 0.28306 1.00000
O7 O 0.82820 0.33989 0.12169 1.00000
O8 O 0.20266 0.49289 0.16990 1.00000
O9 O 0.97983 0.25281 0.90066 1.00000
O10 O 0.99335 0.91198 0.37960 1.00000
O11 O 0.21172 0.69939 0.54732 1.00000
O12 O 0.85894 0.69188 0.93500 1.00000
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