Nd4GaNi2
Alexandria ALEXAlex-ID: agm012201295 · 空间群: Pnma (#62)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C4_599_spg62
NdGa Nd3Ni NdNi
2024-05-30 15:18:50.042396
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm012201295).
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 agm012201295
data_agm012201295
_cell_length_a 4.60785
_cell_length_b 11.26167
_cell_length_c 13.77434
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 714.77950
_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 0.75000 0.48800 0.08807 1.00000
Nd2 Nd 0.25000 0.51200 0.91193 1.00000
Nd3 Nd 0.75000 0.98800 0.41193 1.00000
Nd4 Nd 0.25000 0.01200 0.58807 1.00000
Nd5 Nd 0.75000 0.54737 0.67220 1.00000
Nd6 Nd 0.25000 0.45263 0.32780 1.00000
Nd7 Nd 0.75000 0.04737 0.82780 1.00000
Nd8 Nd 0.25000 0.95263 0.17220 1.00000
Nd9 Nd 0.75000 0.79643 0.00984 1.00000
Nd10 Nd 0.25000 0.20357 0.99016 1.00000
Nd11 Nd 0.75000 0.29643 0.49016 1.00000
Nd12 Nd 0.25000 0.70357 0.50984 1.00000
Nd13 Nd 0.25000 0.78850 0.79468 1.00000
Nd14 Nd 0.75000 0.21150 0.20532 1.00000
Nd15 Nd 0.25000 0.28850 0.70532 1.00000
Nd16 Nd 0.75000 0.71150 0.29468 1.00000
Ga1 Ga 0.25000 0.15917 0.36313 1.00000
Ga2 Ga 0.75000 0.84083 0.63687 1.00000
Ga3 Ga 0.25000 0.65917 0.13687 1.00000
Ga4 Ga 0.75000 0.34083 0.86313 1.00000
Ni1 Ni 0.75000 0.63937 0.85886 1.00000
Ni2 Ni 0.25000 0.36063 0.14114 1.00000
Ni3 Ni 0.75000 0.13937 0.64114 1.00000
Ni4 Ni 0.25000 0.86063 0.35886 1.00000
Ni5 Ni 0.25000 0.96027 0.95418 1.00000
Ni6 Ni 0.75000 0.03973 0.04582 1.00000
Ni7 Ni 0.25000 0.46027 0.54582 1.00000
Ni8 Ni 0.75000 0.53973 0.45418 1.00000
