KAl3In6Ge6B3O30F
Alexandria ALEXAlex-ID: agm010256151 · 空间群: R3m (#160)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC3D3E6F6G30_0_spg160
Al5BO9 In2Ge2O7 In2O3 Al2Ge(O2F)2 KAlGe3O8 InBO3
2025-02-28 12:00:53
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010256151).
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 agm010256151
data_agm010256151
_cell_length_a 10.06200
_cell_length_b 10.06200
_cell_length_c 10.06200
_cell_angle_alpha 112.86874
_cell_angle_beta 112.86874
_cell_angle_gamma 112.86874
_cell_volume 667.65639
_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
K1 K 0.75081 0.75081 0.75081 1.00000
Al1 Al 0.42506 0.42506 0.23233 1.00000
Al2 Al 0.23233 0.42506 0.42506 1.00000
Al3 Al 0.42506 0.23233 0.42506 1.00000
In1 In 0.45076 0.65929 0.10361 1.00000
In2 In 0.65929 0.10361 0.45076 1.00000
In3 In 0.45076 0.10361 0.65929 1.00000
In4 In 0.65929 0.45076 0.10361 1.00000
In5 In 0.10361 0.45076 0.65929 1.00000
In6 In 0.10361 0.65929 0.45076 1.00000
Ge1 Ge 0.20045 0.82434 0.01410 1.00000
Ge2 Ge 0.82434 0.01410 0.20045 1.00000
Ge3 Ge 0.01410 0.82434 0.20045 1.00000
Ge4 Ge 0.20045 0.01410 0.82434 1.00000
Ge5 Ge 0.82434 0.20045 0.01410 1.00000
Ge6 Ge 0.01410 0.20045 0.82434 1.00000
B1 B 0.43130 0.74684 0.43130 1.00000
B2 B 0.43130 0.43130 0.74684 1.00000
B3 B 0.74684 0.43130 0.43130 1.00000
O1 O 0.36946 0.50971 0.82485 1.00000
O2 O 0.82485 0.36946 0.50971 1.00000
O3 O 0.50971 0.82485 0.36946 1.00000
O4 O 0.50971 0.36946 0.82485 1.00000
O5 O 0.82485 0.50971 0.36946 1.00000
O6 O 0.36946 0.82485 0.50971 1.00000
O7 O 0.64672 0.94829 0.21846 1.00000
O8 O 0.21846 0.64672 0.94829 1.00000
O9 O 0.94829 0.21846 0.64672 1.00000
O10 O 0.94829 0.64672 0.21846 1.00000
O11 O 0.21846 0.94829 0.64672 1.00000
O12 O 0.64672 0.21846 0.94829 1.00000
O13 O 0.04319 0.23201 0.39574 1.00000
O14 O 0.39574 0.04319 0.23201 1.00000
O15 O 0.23201 0.39574 0.04319 1.00000
O16 O 0.23201 0.04319 0.39574 1.00000
O17 O 0.39574 0.23201 0.04319 1.00000
O18 O 0.41417 0.59240 0.41417 1.00000
O19 O 0.59240 0.41417 0.41417 1.00000
O20 O 0.41417 0.41417 0.59240 1.00000
O21 O 0.24417 0.59732 0.59732 1.00000
O22 O 0.59732 0.59732 0.24417 1.00000
O23 O 0.59732 0.24417 0.59732 1.00000
O24 O 0.81947 0.13005 0.81947 1.00000
O25 O 0.13005 0.81947 0.81947 1.00000
O26 O 0.81947 0.81947 0.13005 1.00000
O27 O 0.75012 0.99941 0.99941 1.00000
O28 O 0.99941 0.99941 0.75012 1.00000
O29 O 0.99941 0.75012 0.99941 1.00000
O30 O 0.04319 0.39574 0.23201 1.00000
F1 F 0.25098 0.25098 0.25098 1.00000
