RbFe4Ge3(O5F)2
Alexandria ALEXAlex-ID: agm010263602 · 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
AB2C3D4E10_5_spg1
Rb2FeF5 RbFeGe3O8 Fe3(GeO4)2 Fe2GeO4 GeO2
2024-03-07 10:46:39.189432
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010263602).
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 agm010263602
data_agm010263602
_cell_length_a 5.60293
_cell_length_b 5.60940
_cell_length_c 11.06298
_cell_angle_alpha 85.47555
_cell_angle_beta 100.04467
_cell_angle_gamma 119.83204
_cell_volume 296.98870
_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
Rb1 Rb 0.49730 0.00046 0.98564 1.00000
Fe1 Fe 0.33063 0.65671 0.50719 1.00000
Fe2 Fe 0.99414 0.99932 0.50604 1.00000
Fe3 Fe 0.67068 0.33781 0.50323 1.00000
Fe4 Fe 0.08709 0.33258 0.76593 1.00000
Ge1 Ge 0.75787 0.66536 0.77042 1.00000
Ge2 Ge 0.91706 0.67204 0.23811 1.00000
Ge3 Ge 0.25370 0.33590 0.23897 1.00000
O1 O 0.03085 0.98874 0.82556 1.00000
O2 O 0.02328 0.00320 0.17120 1.00000
O3 O 0.84605 0.41444 0.82956 1.00000
O4 O 0.45446 0.60057 0.82464 1.00000
O5 O 0.10083 0.54039 0.17494 1.00000
O6 O 0.56122 0.46416 0.17070 1.00000
O7 O 0.02001 0.33122 0.58926 1.00000
O8 O 0.69962 0.65962 0.60365 1.00000
O9 O 0.96444 0.67571 0.39856 1.00000
O10 O 0.31221 0.33388 0.39977 1.00000
F1 F 0.36458 0.99948 0.59262 1.00000
F2 F 0.61397 0.98840 0.40401 1.00000
获取直接链接