LuNiP
Alexandria ALEXAlex-ID: agm005289723 · 空间群: P6_3/mmc (#194)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC_28_spg194
LuNiP
2024-10-09 03:33:50
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005289723).
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 agm005289723
data_agm005289723
_cell_length_a 3.86355
_cell_length_b 3.86355
_cell_length_c 14.96189
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 193.41504
_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
Lu1 Lu 0.00000 0.00000 0.50000 1.00000
Lu2 Lu 0.00000 0.00000 0.00000 1.00000
Lu3 Lu 0.00000 0.00000 0.25000 1.00000
Lu4 Lu 0.00000 0.00000 0.75000 1.00000
Ni1 Ni 0.33333 0.66667 0.36954 1.00000
Ni2 Ni 0.66667 0.33333 0.63046 1.00000
Ni3 Ni 0.66667 0.33333 0.86954 1.00000
Ni4 Ni 0.33333 0.66667 0.13046 1.00000
P1 P 0.33333 0.66667 0.87835 1.00000
P2 P 0.66667 0.33333 0.12165 1.00000
P3 P 0.66667 0.33333 0.37835 1.00000
P4 P 0.33333 0.66667 0.62165 1.00000
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