SiO2
Alexandria ALEXAlex-ID: agm005251373 · Space group: P2 (#3)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2_3386_spg3
SiO2
2023-05-05 07:26:01.873940
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005251373).
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 agm005251373
data_agm005251373
_cell_length_a 5.02305
_cell_length_b 5.50411
_cell_length_c 6.24313
_cell_angle_alpha 89.23094
_cell_angle_beta 89.76592
_cell_angle_gamma 89.66615
_cell_volume 172.58648
_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 0.51097 0.26469 0.11821 1.00000
Si2 Si 0.79281 0.75755 0.11500 1.00000
Si3 Si 0.15068 0.50777 0.82417 1.00000
Si4 Si 0.65259 0.50660 0.52733 1.00000
O1 O 0.22557 0.27893 0.99026 1.00000
O2 O 0.39481 0.59626 0.66645 1.00000
O3 O 0.07539 0.73869 0.98251 1.00000
O4 O 0.64528 0.51516 0.03130 1.00000
O5 O 0.53125 0.28592 0.37949 1.00000
O6 O 0.77916 0.72753 0.37669 1.00000
O7 O 0.65491 0.01386 0.04746 1.00000
O8 O 0.90526 0.41632 0.67255 1.00000
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