Nd5P4H
Alexandria ALEXAlex-ID: agm006490959 · 空间群: I4 (#79)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C5_236_spg79
Nd2PH2 Nd6P5 NdP
2024-03-01 23:25:23.358085
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006490959).
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 agm006490959
data_agm006490959
_cell_length_a 7.13782
_cell_length_b 7.13782
_cell_length_c 7.13782
_cell_angle_alpha 99.59016
_cell_angle_beta 99.59016
_cell_angle_gamma 131.82066
_cell_volume 247.40997
_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 0.69262 0.89546 0.58715 1.00000
Nd2 Nd 0.89546 0.30831 0.20284 1.00000
Nd3 Nd 0.10547 0.69262 0.79716 1.00000
Nd4 Nd 0.30831 0.10547 0.41285 1.00000
Nd5 Nd 0.52541 0.52541 0.00000 1.00000
P1 P 0.20267 0.40131 0.60316 1.00000
P2 P 0.40131 0.79815 0.19864 1.00000
P3 P 0.59951 0.20267 0.80136 1.00000
P4 P 0.79815 0.59951 0.39684 1.00000
H1 H 0.96078 0.96078 0.00000 1.00000
获取直接链接