PmNdIN
Alexandria ALEXAlex-ID: agm005201632 · 空间群: R3m (#160)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABCD_431_spg160
Pm6N5 Nd4I5N Pm2Nd Nd
2022-07-10 15:28:08.636534
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005201632).
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 agm005201632
data_agm005201632
_cell_length_a 3.79194
_cell_length_b 3.79695
_cell_length_c 7.93597
_cell_angle_alpha 89.96807
_cell_angle_beta 103.85065
_cell_angle_gamma 120.04360
_cell_volume 95.06060
_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 0.08250 0.93922 0.03659 1.00000
Nd1 Nd 0.52031 0.15817 0.69407 1.00000
I1 I 0.96658 0.38107 0.36300 1.00000
N1 N 0.30851 0.55234 0.87599 1.00000
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