Mg3Hg2Ge3
Alexandria ALEXAlex-ID: agm010016634 · 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
A2B3C3_118_spg71
Ge Hg Mg2Ge
2024-04-18 16:31:27.038965
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010016634).
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 agm010016634
data_agm010016634
_cell_length_a 9.77774
_cell_length_b 9.77774
_cell_length_c 4.55684
_cell_angle_alpha 94.40153
_cell_angle_beta 94.40153
_cell_angle_gamma 22.86286
_cell_volume 168.74321
_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 0.87951 0.87951 0.96828 1.00000
Mg2 Mg 0.00000 0.00000 0.50000 1.00000
Mg3 Mg 0.12049 0.12049 0.03172 1.00000
Hg1 Hg 0.26121 0.26121 0.75788 1.00000
Hg2 Hg 0.73879 0.73879 0.24212 1.00000
Ge1 Ge 0.38936 0.38936 0.46301 1.00000
Ge2 Ge 0.61064 0.61064 0.53699 1.00000
Ge3 Ge 0.50000 0.50000 0.00000 1.00000
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