Nd2Ir
Alexandria ALEXAlex-ID: agm002294635 · 空间群: I4/mcm (#140)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2_36_spg12
Nd7Ir3 Nd5Ir3
2018-09-11 21:11:14
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002294635).
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 agm002294635
data_agm002294635
_cell_length_a 5.96577
_cell_length_b 5.96577
_cell_length_c 5.95565
_cell_angle_alpha 106.93410
_cell_angle_beta 106.93411
_cell_angle_gamma 114.58781
_cell_volume 162.34175
_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
Ir1 Ir 0.75034 0.74966 1.00000 1.00000
Ir2 Ir 0.24965 0.25035 0.00000 1.00000
Nd1 Nd 0.81627 0.31627 0.13335 1.00000
Nd2 Nd 0.18373 0.68373 0.86665 1.00000
Nd3 Nd 0.68314 0.81686 0.50000 1.00000
Nd4 Nd 0.31685 0.18315 0.50000 1.00000
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