MgI3
Alexandria ALEXAlex-ID: agm002220652 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3_439_spg2
MgI2 I
2018-11-22 17:35:41
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002220652).
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 agm002220652
data_agm002220652
_cell_length_a 7.82908
_cell_length_b 6.55226
_cell_length_c 9.29654
_cell_angle_alpha 64.86194
_cell_angle_beta 62.45813
_cell_angle_gamma 53.29611
_cell_volume 331.54078
_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
I1 I 0.91832 0.57416 0.27377 1.00000
I2 I 0.44133 0.75493 0.72190 1.00000
I3 I 0.76893 0.09941 0.72212 1.00000
I4 I 0.08168 0.42584 0.72623 1.00000
I5 I 0.23107 0.90059 0.27788 1.00000
I6 I 0.55867 0.24507 0.27810 1.00000
Mg1 Mg 0.17774 0.14436 0.50006 1.00000
Mg2 Mg 0.82226 0.85564 0.49994 1.00000
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