Y2Si2O7
Alexandria ALEXAlex-ID: agm005227296 · 空间群: P2_1/c (#14)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C7_73_spg14
Y2Si2O7
2022-12-12 20:14:18.365703
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005227296).
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 agm005227296
data_agm005227296
_cell_length_a 10.94051
_cell_length_b 4.75651
_cell_length_c 5.64848
_cell_angle_alpha 83.90400
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 292.27710
_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
Y1 Y 0.65112 0.89078 0.40684 1.00000
Y2 Y 0.15112 0.10922 0.09316 1.00000
Y3 Y 0.34888 0.10922 0.59316 1.00000
Y4 Y 0.84888 0.89078 0.90684 1.00000
Si1 Si 0.88845 0.36106 0.35585 1.00000
Si2 Si 0.38845 0.63894 0.14415 1.00000
Si3 Si 0.11155 0.63894 0.64415 1.00000
Si4 Si 0.61155 0.36106 0.85585 1.00000
O1 O 0.94937 0.20513 0.13556 1.00000
O2 O 0.44937 0.79487 0.36444 1.00000
O3 O 0.05063 0.79487 0.86444 1.00000
O4 O 0.55063 0.20513 0.63556 1.00000
O5 O 0.68254 0.12538 0.03949 1.00000
O6 O 0.18254 0.87462 0.46051 1.00000
O7 O 0.31746 0.87462 0.96051 1.00000
O8 O 0.81746 0.12538 0.53949 1.00000
O9 O 0.00000 0.50000 0.50000 1.00000
O10 O 0.50000 0.50000 0.00000 1.00000
O11 O 0.70137 0.61958 0.74732 1.00000
O12 O 0.20137 0.38042 0.75268 1.00000
O13 O 0.29863 0.38042 0.25268 1.00000
O14 O 0.79863 0.61958 0.24732 1.00000
