Yb4Ge3(O3F2)3
Alexandria ALEXAlex-ID: agm006236249 · 空间群: Cmcm (#63)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B4C6D9_1_spg63
Yb(OF)2 Yb2Ge2O7 YbF2 GeO2
2024-10-21 22:51:33
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006236249).
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 agm006236249
data_agm006236249
_cell_length_a 9.31299
_cell_length_b 9.31299
_cell_length_c 7.16362
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 108.24939
_cell_volume 590.06352
_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
Yb1 Yb 0.91752 0.20467 0.25000 1.00000
Yb2 Yb 0.84184 0.58512 0.25000 1.00000
Yb3 Yb 0.41488 0.15816 0.75000 1.00000
Yb4 Yb 0.58512 0.84184 0.25000 1.00000
Yb5 Yb 0.79533 0.08248 0.75000 1.00000
Yb6 Yb 0.20467 0.91752 0.25000 1.00000
Yb7 Yb 0.15816 0.41488 0.75000 1.00000
Yb8 Yb 0.08248 0.79533 0.75000 1.00000
Ge1 Ge 0.77260 0.46213 0.75000 1.00000
Ge2 Ge 0.46213 0.77260 0.75000 1.00000
Ge3 Ge 0.50000 0.50000 0.50000 1.00000
Ge4 Ge 0.53787 0.22740 0.25000 1.00000
Ge5 Ge 0.50000 0.50000 0.00000 1.00000
Ge6 Ge 0.22740 0.53787 0.25000 1.00000
O1 O 0.55787 0.55787 0.25000 1.00000
O2 O 0.03021 0.46526 0.25000 1.00000
O3 O 0.71240 0.53602 0.54306 1.00000
O4 O 0.46526 0.03021 0.25000 1.00000
O5 O 0.53602 0.71240 0.54306 1.00000
O6 O 0.68191 0.26560 0.75000 1.00000
O7 O 0.53474 0.96979 0.75000 1.00000
O8 O 0.46398 0.28760 0.45694 1.00000
O9 O 0.46398 0.28760 0.04306 1.00000
O10 O 0.44213 0.44213 0.75000 1.00000
O11 O 0.73440 0.31809 0.25000 1.00000
O12 O 0.26560 0.68191 0.75000 1.00000
O13 O 0.31809 0.73440 0.25000 1.00000
O14 O 0.96979 0.53474 0.75000 1.00000
O15 O 0.28760 0.46398 0.45694 1.00000
O16 O 0.71240 0.53602 0.95694 1.00000
O17 O 0.28760 0.46398 0.04306 1.00000
O18 O 0.53602 0.71240 0.95694 1.00000
F1 F 0.19259 0.19259 0.75000 1.00000
F2 F 0.25734 0.96700 0.93866 1.00000
F3 F 0.80741 0.80741 0.25000 1.00000
F4 F 0.03300 0.74266 0.43866 1.00000
F5 F 0.03300 0.74266 0.06134 1.00000
F6 F 0.96700 0.25734 0.93866 1.00000
F7 F 0.25734 0.96700 0.56134 1.00000
F8 F 0.96700 0.25734 0.56134 1.00000
F9 F 0.74266 0.03300 0.43866 1.00000
F10 F 0.90280 0.90280 0.75000 1.00000
F11 F 0.09720 0.09720 0.25000 1.00000
F12 F 0.74266 0.03300 0.06134 1.00000
