Nd3Ni11
Alexandria ALEXAlex-ID: agm007758274 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B11_3_spg71
Nd5Ni19 Nd2Ni7
2024-05-09 00:39:49.081507
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007758274).
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 agm007758274
data_agm007758274
_cell_length_a 7.77982
_cell_length_b 7.77982
_cell_length_c 7.77982
_cell_angle_alpha 149.97079
_cell_angle_beta 108.23899
_cell_angle_gamma 79.70294
_cell_volume 219.55496
_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 0.50000 0.50000 0.00000 1.00000
Nd2 Nd 0.81461 0.81461 0.00000 1.00000
Nd3 Nd 0.18539 0.18539 0.00000 1.00000
Ni1 Ni 0.50648 0.19456 0.31192 1.00000
Ni2 Ni 0.66545 0.39329 0.27216 1.00000
Ni3 Ni 0.88264 0.19456 0.68808 1.00000
Ni4 Ni 0.77521 0.00000 0.77521 1.00000
Ni5 Ni 0.87887 0.60671 0.27216 1.00000
Ni6 Ni 0.00000 0.50000 0.50000 1.00000
Ni7 Ni 0.12113 0.39329 0.72784 1.00000
Ni8 Ni 0.22479 0.00000 0.22479 1.00000
Ni9 Ni 0.11736 0.80544 0.31192 1.00000
Ni10 Ni 0.33455 0.60671 0.72784 1.00000
Ni11 Ni 0.49352 0.80544 0.68808 1.00000
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