Er3Ni7Ge4
Alexandria ALEXAlex-ID: agm005693511 · 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
A3B4C7_31_spg12
ErNi3Ge2 Er2(Ni3Ge)3 ErNiGe
2023-06-29 18:00:19.279384
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005693511).
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 agm005693511
data_agm005693511
_cell_length_a 4.00564
_cell_length_b 7.76758
_cell_length_c 7.73268
_cell_angle_alpha 69.04569
_cell_angle_beta 74.98886
_cell_angle_gamma 75.05787
_cell_volume 213.34513
_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
Er1 Er 0.31931 0.18806 0.17331 1.00000
Er2 Er 0.68069 0.81194 0.82669 1.00000
Er3 Er 0.00000 0.50000 0.50000 1.00000
Ni1 Ni 0.31552 0.82803 0.54092 1.00000
Ni2 Ni 0.50086 0.21605 0.78223 1.00000
Ni3 Ni 0.86999 0.35855 0.90147 1.00000
Ni4 Ni 0.68448 0.17197 0.45908 1.00000
Ni5 Ni 0.13001 0.64145 0.09853 1.00000
Ni6 Ni 0.00000 0.00000 0.00000 1.00000
Ni7 Ni 0.49914 0.78395 0.21777 1.00000
Ge1 Ge 0.66849 0.46645 0.19657 1.00000
Ge2 Ge 0.33151 0.53355 0.80343 1.00000
Ge3 Ge 0.87977 0.89895 0.34150 1.00000
Ge4 Ge 0.12023 0.10105 0.65850 1.00000
获取直接链接