Nd4I5N2
Alexandria ALEXAlex-ID: agm005656574 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B4C5_975_spg12
Nd4I5N Nd2I3N NdN
2023-06-22 08:03:14.345764
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005656574).
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 agm005656574
data_agm005656574
_cell_length_a 3.95356
_cell_length_b 7.93635
_cell_length_c 13.44313
_cell_angle_alpha 113.54553
_cell_angle_beta 98.45587
_cell_angle_gamma 90.00000
_cell_volume 381.67756
_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 0.39926 0.15430 0.79852 1.00000
Nd2 Nd 0.95557 0.61049 0.91114 1.00000
Nd3 Nd 0.60074 0.84570 0.20148 1.00000
Nd4 Nd 0.04443 0.38951 0.08886 1.00000
I1 I 0.82075 0.26808 0.64150 1.00000
I2 I 0.17925 0.73192 0.35850 1.00000
I3 I 0.85541 0.79722 0.71083 1.00000
I4 I 0.50000 0.00000 0.00000 1.00000
I5 I 0.14459 0.20278 0.28917 1.00000
N1 N 0.95229 0.31385 0.90458 1.00000
N2 N 0.04771 0.68615 0.09542 1.00000
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