Mg8Ni2Rh
Alexandria ALEXAlex-ID: agm003530487 · 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
AB2C8_280_spg71
Mg3Rh Mg44Rh7 Mg2Ni
2022-03-15 21:18:38.439559
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003530487).
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 agm003530487
data_agm003530487
_cell_length_a 4.41444
_cell_length_b 6.73865
_cell_length_c 7.44245
_cell_angle_alpha 112.86900
_cell_angle_beta 107.25179
_cell_angle_gamma 90.00000
_cell_volume 193.13515
_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 0.38248 0.55205 0.76495 1.00000
Mg2 Mg 0.67249 0.92213 0.34497 1.00000
Mg3 Mg 0.84112 0.77964 0.68224 1.00000
Mg4 Mg 0.96504 0.25708 0.93007 1.00000
Mg5 Mg 0.15888 0.22036 0.31776 1.00000
Mg6 Mg 0.32751 0.07787 0.65503 1.00000
Mg7 Mg 0.61752 0.44795 0.23505 1.00000
Mg8 Mg 0.03496 0.74292 0.06993 1.00000
Ni1 Ni 0.79328 0.34082 0.58656 1.00000
Ni2 Ni 0.20672 0.65918 0.41344 1.00000
Rh1 Rh 0.50000 0.00000 0.00000 1.00000
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