Mg3In2
Alexandria ALEXAlex-ID: agm005505883 · 空间群: Fdd2 (#43)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3_246_spg43
Mg3In Mg4In3
2023-03-20 07:46:19.394603
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005505883).
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 agm005505883
data_agm005505883
_cell_length_a 13.24776
_cell_length_b 11.51166
_cell_length_c 6.94855
_cell_angle_alpha 88.10237
_cell_angle_beta 60.28188
_cell_angle_gamma 31.61575
_cell_volume 250.58017
_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 0.79456 0.39522 0.49731 1.00000
Mg2 Mg 0.31291 0.49731 0.39522 1.00000
Mg3 Mg 0.85478 0.45544 0.93709 1.00000
Mg4 Mg 0.75269 0.93709 0.45544 1.00000
Mg5 Mg 0.98071 0.01929 0.01929 1.00000
Mg6 Mg 0.23071 0.26929 0.26929 1.00000
In1 In 0.32860 0.76206 0.32611 1.00000
In2 In 0.58322 0.32611 0.76206 1.00000
In3 In 0.48794 0.92140 0.66678 1.00000
In4 In 0.92389 0.66678 0.92140 1.00000
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