SiO2
Alexandria ALEXAlex-ID: agm005284013 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2_3388_spg1
SiO2
2023-05-05 07:26:02.989951
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005284013).
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}
}
晶体结构 3D 渲染
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm005284013
data_agm005284013
_cell_length_a 5.19300
_cell_length_b 5.32079
_cell_length_c 7.01827
_cell_angle_alpha 72.92791
_cell_angle_beta 75.50385
_cell_angle_gamma 84.52530
_cell_volume 179.42404
_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 0.39588 0.72384 0.59062 1.00000
Si2 Si 0.42566 0.62880 0.05336 1.00000
Si3 Si 0.19152 0.28293 0.43460 1.00000
Si4 Si 0.85814 0.68661 0.25188 1.00000
O1 O 0.44613 0.63323 0.81987 1.00000
O2 O 0.19010 0.97774 0.56808 1.00000
O3 O 0.27264 0.47398 0.55595 1.00000
O4 O 0.70256 0.73420 0.06815 1.00000
O5 O 0.67641 0.82073 0.42384 1.00000
O6 O 0.15995 0.80018 0.13945 1.00000
O7 O 0.89895 0.37807 0.38420 1.00000
O8 O 0.39651 0.32814 0.20731 1.00000
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