NdSmIr
Alexandria ALEXAlex-ID: agm005646865 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC_230_spg8
Sm7Ir3 Nd7Ir3 Sm5Ir3
2023-06-17 21:53:50.879661
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005646865).
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 agm005646865
data_agm005646865
_cell_length_a 3.94978
_cell_length_b 7.15625
_cell_length_c 7.82077
_cell_angle_alpha 120.92619
_cell_angle_beta 90.00000
_cell_angle_gamma 106.01968
_cell_volume 179.55038
_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
Nd1 Nd 0.50954 0.01908 0.08123 1.00000
Nd2 Nd 0.16568 0.33136 0.58471 1.00000
Sm1 Sm 0.24955 0.49909 0.10654 1.00000
Sm2 Sm 0.92220 0.84440 0.59767 1.00000
Ir1 Ir 0.93227 0.86454 0.24147 1.00000
Ir2 Ir 0.59787 0.19573 0.80155 1.00000
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