SiO2
Alexandria ALEXAlex-ID: agm005241608 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2_3384_spg1
SiO2
2023-05-05 07:26:02.525946
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005241608).
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 agm005241608
data_agm005241608
_cell_length_a 4.81500
_cell_length_b 4.85933
_cell_length_c 5.93988
_cell_angle_alpha 90.69383
_cell_angle_beta 93.41031
_cell_angle_gamma 104.93763
_cell_volume 133.99063
_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 0.92167 0.88412 0.10373 1.00000
Si2 Si 0.05416 0.67784 0.55416 1.00000
Si3 Si 0.57048 0.17068 0.80063 1.00000
Si4 Si 0.27587 0.47612 0.16977 1.00000
O1 O 0.26223 0.99765 0.65830 1.00000
O2 O 0.70390 0.89956 0.88200 1.00000
O3 O 0.49835 0.35961 0.01722 1.00000
O4 O 0.18144 0.74059 0.04035 1.00000
O5 O 0.31018 0.56128 0.44105 1.00000
O6 O 0.83433 0.74368 0.34807 1.00000
O7 O 0.99668 0.21563 0.17072 1.00000
O8 O 0.83092 0.40851 0.68009 1.00000
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