Er4As2RuN2
Alexandria ALEXAlex-ID: agm011502145 · 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
AB2C2D4_165_spg12
ErAs ErN Ru
2024-06-24 11:47:39.275141
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011502145).
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 agm011502145
data_agm011502145
_cell_length_a 8.57521
_cell_length_b 8.57521
_cell_length_c 6.34799
_cell_angle_alpha 73.32794
_cell_angle_beta 73.32794
_cell_angle_gamma 24.74986
_cell_volume 186.80720
_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 0.75792 0.75792 0.77493 1.00000
Er2 Er 0.24208 0.24208 0.22507 1.00000
Er3 Er 0.44042 0.44042 0.83254 1.00000
Er4 Er 0.55958 0.55958 0.16746 1.00000
As1 As 0.89803 0.89803 0.28237 1.00000
As2 As 0.10197 0.10197 0.71763 1.00000
Ru1 Ru 0.00000 0.00000 0.50000 1.00000
N1 N 0.31154 0.31154 0.86676 1.00000
N2 N 0.68846 0.68846 0.13324 1.00000
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