Ni4Ir3Os2
Alexandria ALEXAlex-ID: agm005691887 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C4_842_spg2
IrOs5 Ni NiIr
2023-06-27 18:18:54.016691
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005691887).
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 agm005691887
data_agm005691887
_cell_length_a 4.58636
_cell_length_b 6.78775
_cell_length_c 8.20812
_cell_angle_alpha 73.01403
_cell_angle_beta 73.88564
_cell_angle_gamma 89.68960
_cell_volume 233.98125
_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
Ni1 Ni 0.49621 0.08478 0.83712 1.00000
Ni2 Ni 0.94663 0.19587 0.94013 1.00000
Ni3 Ni 0.50379 0.91522 0.16288 1.00000
Ni4 Ni 0.05337 0.80413 0.05987 1.00000
Ni5 Ni 0.16547 0.74653 0.49952 1.00000
Ni6 Ni 0.27791 0.52457 0.27944 1.00000
Ni7 Ni 0.83453 0.25347 0.50048 1.00000
Ni8 Ni 0.72209 0.47543 0.72056 1.00000
Ir1 Ir 0.04885 0.97606 0.72354 1.00000
Ir2 Ir 0.39719 0.29912 0.05168 1.00000
Ir3 Ir 0.95115 0.02394 0.27646 1.00000
Ir4 Ir 0.60281 0.70088 0.94832 1.00000
Ir5 Ir 0.27325 0.36272 0.61444 1.00000
Ir6 Ir 0.72675 0.63728 0.38556 1.00000
Os1 Os 0.60870 0.86540 0.61146 1.00000
Os2 Os 0.83778 0.41735 0.16858 1.00000
Os3 Os 0.39130 0.13460 0.38854 1.00000
Os4 Os 0.16222 0.58265 0.83142 1.00000
获取直接链接