PmNdIn
Alexandria ALEXAlex-ID: agm005585643 · 空间群: P4/nmm (#129)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC_17_spg129
Pm5In3 PmNd5In2 PmNd2In3
2023-06-19 09:58:41.478138
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005585643).
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 agm005585643
data_agm005585643
_cell_length_a 4.76104
_cell_length_b 4.76107
_cell_length_c 8.53493
_cell_angle_alpha 89.96037
_cell_angle_beta 90.03962
_cell_angle_gamma 89.99242
_cell_volume 193.46683
_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
Pm1 Pm 0.75001 0.75001 1.00000 1.00000
Pm2 Pm 0.24999 0.24999 0.00000 1.00000
Nd1 Nd 0.75027 0.24973 0.35528 1.00000
Nd2 Nd 0.24973 0.75027 0.64472 1.00000
In1 In 0.25034 0.74966 0.26956 1.00000
In2 In 0.74966 0.25034 0.73044 1.00000
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