Ge2OF4
Alexandria ALEXAlex-ID: agm005999212 · 空间群: Cc (#9)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C4_3177_spg9
Ge5F12 GeF3 GeO2
2023-10-20 00:04:46
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005999212).
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
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# CIF generated by HEAS from Alexandria entry agm005999212
data_agm005999212
_cell_length_a 5.61828
_cell_length_b 10.12467
_cell_length_c 10.15583
_cell_angle_alpha 104.96907
_cell_angle_beta 80.96218
_cell_angle_gamma 150.43351
_cell_volume 272.60019
_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
Ge1 Ge 0.26021 0.78021 0.35998 1.00000
Ge2 Ge 0.49872 0.21153 0.56229 1.00000
Ge3 Ge 0.18775 0.39985 0.93784 1.00000
Ge4 Ge 0.15175 0.17133 0.13981 1.00000
O1 O 0.25480 0.93064 0.50396 1.00000
O2 O 0.99842 0.17572 0.99590 1.00000
F1 F 0.12632 0.53309 0.57912 1.00000
F2 F 0.85681 0.25040 0.78433 1.00000
F3 F 0.70052 0.07656 0.26115 1.00000
F4 F 0.30127 0.21649 0.44853 1.00000
F5 F 0.31984 0.21447 0.71572 1.00000
F6 F 0.10631 0.51999 0.05153 1.00000
F7 F 0.68813 0.56577 0.23842 1.00000
F8 F 0.79916 0.70395 0.92141 1.00000
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