Cr4Ni5Ir2
Alexandria ALEXAlex-ID: agm005665474 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B4C5_657_spg2
CrNi2 Ni CrIr
2023-06-21 14:05:14.956071
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005665474).
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 agm005665474
data_agm005665474
_cell_length_a 7.17594
_cell_length_b 4.94840
_cell_length_c 4.60811
_cell_angle_alpha 79.07751
_cell_angle_beta 111.78674
_cell_angle_gamma 70.38440
_cell_volume 133.57988
_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
Cr1 Cr 0.80443 0.68993 0.87532 1.00000
Cr2 Cr 0.13570 0.10871 0.39906 1.00000
Cr3 Cr 0.46738 0.83003 0.38491 1.00000
Cr4 Cr 0.60883 0.27565 0.57517 1.00000
Ni1 Ni 0.18727 0.56857 0.43656 1.00000
Ni2 Ni 0.19158 0.39803 0.98033 1.00000
Ni3 Ni 0.44358 0.05472 0.84157 1.00000
Ni4 Ni 0.46886 0.55983 0.94275 1.00000
Ni5 Ni 0.83408 0.50338 0.42520 1.00000
Ir1 Ir 0.79940 0.04046 0.24728 1.00000
Ir2 Ir 0.05897 0.97069 0.89185 1.00000
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