Rb2TbGe4O10F
Alexandria ALEXAlex-ID: agm011223928 · 空间群: I4/m (#87)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D4E10_6_spg87
Rb2TbF5 Tb2Ge2O7 Rb2Ge4O9
2024-12-19 11:34:14
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011223928).
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 agm011223928
data_agm011223928
_cell_length_a 9.61946
_cell_length_b 9.61946
_cell_length_c 9.61946
_cell_angle_alpha 102.05437
_cell_angle_beta 102.05437
_cell_angle_gamma 125.61391
_cell_volume 643.65447
_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 0.31215 0.68393 0.99608 1.00000
Rb2 Rb 0.68785 0.31607 0.00392 1.00000
Rb3 Rb 0.68393 0.68785 0.37178 1.00000
Rb4 Rb 0.31607 0.31215 0.62822 1.00000
Tb1 Tb 0.24406 0.24406 0.00000 1.00000
Tb2 Tb 0.75594 0.75594 0.00000 1.00000
Ge1 Ge 0.87266 0.19992 0.69368 1.00000
Ge2 Ge 0.50624 0.17898 0.30632 1.00000
Ge3 Ge 0.19992 0.50624 0.32726 1.00000
Ge4 Ge 0.17898 0.87266 0.67274 1.00000
Ge5 Ge 0.12734 0.80008 0.30632 1.00000
Ge6 Ge 0.49376 0.82102 0.69368 1.00000
Ge7 Ge 0.80008 0.49376 0.67274 1.00000
Ge8 Ge 0.82102 0.12734 0.32726 1.00000
O1 O 0.67517 0.06602 0.74119 1.00000
O2 O 0.32483 0.93398 0.25881 1.00000
O3 O 0.06602 0.32483 0.39085 1.00000
O4 O 0.93398 0.67517 0.60915 1.00000
O5 O 0.07530 0.25564 0.80846 1.00000
O6 O 0.44718 0.26685 0.19154 1.00000
O7 O 0.25564 0.44718 0.18033 1.00000
O8 O 0.26685 0.07530 0.81967 1.00000
O9 O 0.92470 0.74436 0.19154 1.00000
O10 O 0.55282 0.73315 0.80846 1.00000
O11 O 0.74436 0.55282 0.81967 1.00000
O12 O 0.73315 0.92470 0.18033 1.00000
O13 O 0.92769 0.42041 0.72910 1.00000
O14 O 0.69130 0.19858 0.27090 1.00000
O15 O 0.42041 0.69130 0.49272 1.00000
O16 O 0.19858 0.92769 0.50728 1.00000
O17 O 0.07231 0.57959 0.27090 1.00000
O18 O 0.30870 0.80142 0.72910 1.00000
O19 O 0.57959 0.30870 0.50728 1.00000
O20 O 0.80142 0.07231 0.49272 1.00000
F1 F 0.00000 0.00000 0.00000 1.00000
F2 F 0.50000 0.50000 0.00000 1.00000
