Rb2MnGeI6
Alexandria ALEXAlex-ID: agm004921923 · 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
ABC2D6_584_spg1
Rb2MnI4 GeI2
2023-01-14 09:26:50.402988
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004921923).
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 agm004921923
data_agm004921923
_cell_length_a 10.34290
_cell_length_b 8.64522
_cell_length_c 8.62785
_cell_angle_alpha 59.91737
_cell_angle_beta 53.95938
_cell_angle_gamma 49.01714
_cell_volume 462.43089
_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 0.62898 0.57791 0.27816 1.00000
Rb2 Rb 0.98853 0.03911 0.81429 1.00000
Mn1 Mn 0.41375 0.37746 0.04172 1.00000
Ge1 Ge 0.85477 0.78698 0.55547 1.00000
I1 I 0.57797 0.19689 0.28398 1.00000
I2 I 0.07981 0.95077 0.36345 1.00000
I3 I 0.03725 0.55270 0.24818 1.00000
I4 I 0.49522 0.66473 0.74873 1.00000
I5 I 0.55218 0.06524 0.88965 1.00000
I6 I 0.03312 0.44980 0.79158 1.00000
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