Rb2InGeO5
Alexandria ALEXAlex-ID: agm005149175 · 空间群: Cmc2_1 (#36)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D5_218_spg36
RbO4 Rb3In(GeO3)3 In2O3 Rb2GeO3
2023-01-17 13:37:02.438826
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005149175).
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 agm005149175
data_agm005149175
_cell_length_a 3.27671
_cell_length_b 8.03888
_cell_length_c 13.05693
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 101.75950
_cell_volume 336.71566
_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 0.85221 0.70443 0.81830 1.00000
Rb2 Rb 0.08825 0.17650 0.66065 1.00000
Rb3 Rb 0.14779 0.29557 0.31830 1.00000
Rb4 Rb 0.91175 0.82350 0.16065 1.00000
In1 In 0.79380 0.58759 0.54002 1.00000
In2 In 0.20620 0.41241 0.04002 1.00000
Ge1 Ge 0.55782 0.11565 0.92359 1.00000
Ge2 Ge 0.44218 0.88435 0.42359 1.00000
O1 O 0.33747 0.67493 0.00439 1.00000
O2 O 0.67158 0.34315 0.92619 1.00000
O3 O 0.50529 0.01058 0.80987 1.00000
O4 O 0.29376 0.58752 0.64389 1.00000
O5 O 0.95783 0.91566 0.49707 1.00000
O6 O 0.66253 0.32507 0.50439 1.00000
O7 O 0.32842 0.65685 0.42619 1.00000
O8 O 0.49471 0.98942 0.30987 1.00000
O9 O 0.70624 0.41248 0.14389 1.00000
O10 O 0.04217 0.08434 0.99707 1.00000
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