RbMg(MnI4)2
Alexandria ALEXAlex-ID: agm004883733 · 空间群: R-3 (#148)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D8_757_spg148
Mg(MnI3)2 Rb2MnI4 MgI2 I
2023-01-01 22:22:46.890118
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004883733).
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 agm004883733
data_agm004883733
_cell_length_a 7.38407
_cell_length_b 7.38407
_cell_length_c 11.33712
_cell_angle_alpha 70.99448
_cell_angle_beta 70.99448
_cell_angle_gamma 60.00000
_cell_volume 496.04306
_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 0.50000 0.50000 0.50000 1.00000
Mg1 Mg 0.00000 0.00000 0.00000 1.00000
Mn1 Mn 0.25443 0.25443 0.23672 1.00000
Mn2 Mn 0.74557 0.74557 0.76328 1.00000
I1 I 0.17156 0.17156 0.48532 1.00000
I2 I 0.62691 0.27349 0.16541 1.00000
I3 I 0.82844 0.82844 0.51468 1.00000
I4 I 0.93418 0.62691 0.16541 1.00000
I5 I 0.06582 0.37309 0.83459 1.00000
I6 I 0.27349 0.93418 0.16541 1.00000
I7 I 0.72651 0.06582 0.83459 1.00000
I8 I 0.37309 0.72651 0.83459 1.00000
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