Mg2InI6
Alexandria ALEXAlex-ID: agm003498705 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_693_spg12
InI2 MgI2
2022-02-28 13:46:48.186561
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003498705).
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 agm003498705
data_agm003498705
_cell_length_a 4.50201
_cell_length_b 7.76844
_cell_length_c 12.21271
_cell_angle_alpha 83.89700
_cell_angle_beta 90.00000
_cell_angle_gamma 106.84378
_cell_volume 406.26837
_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
Mg1 Mg 0.71361 0.42721 0.76621 1.00000
Mg2 Mg 0.28639 0.57279 0.23379 1.00000
In1 In 0.00000 0.00000 0.50000 1.00000
I1 I 0.89839 0.79678 0.73681 1.00000
I2 I 0.84831 0.69662 0.11507 1.00000
I3 I 0.15169 0.30338 0.88493 1.00000
I4 I 0.63917 0.27834 0.56408 1.00000
I5 I 0.36083 0.72166 0.43592 1.00000
I6 I 0.10161 0.20322 0.26319 1.00000
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