CdNi3
Alexandria ALEXAlex-ID: agm005495098 · 空间群: Cmcm (#63)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3_3_spg194
Cd3Ni Ni
2023-03-19 02:43:04.391354
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005495098).
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 agm005495098
data_agm005495098
_cell_length_a 5.27923
_cell_length_b 5.27923
_cell_length_c 4.29026
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 118.44528
_cell_volume 105.13493
_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
Cd1 Cd 0.09497 0.90503 0.75000 1.00000
Cd2 Cd 0.90503 0.09497 0.25000 1.00000
Ni1 Ni 0.58634 0.41366 0.75000 1.00000
Ni2 Ni 0.10928 0.42970 0.75000 1.00000
Ni3 Ni 0.57030 0.89072 0.75000 1.00000
Ni4 Ni 0.41366 0.58634 0.25000 1.00000
Ni5 Ni 0.89072 0.57030 0.25000 1.00000
Ni6 Ni 0.42970 0.10928 0.25000 1.00000
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