Nd6HoHPt2
Alexandria ALEXAlex-ID: agm007697952 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D6_2242_spg1
NdHo3Pt2 Nd7Pt3 NdH2 Nd
2024-05-29 10:46:06.705920
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007697952).
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 agm007697952
data_agm007697952
_cell_length_a 8.18413
_cell_length_b 8.18413
_cell_length_c 4.82870
_cell_angle_alpha 73.72328
_cell_angle_beta 73.72328
_cell_angle_gamma 60.06741
_cell_volume 265.19046
_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 0.11016 0.11016 0.85630 1.00000
Nd2 Nd 0.85753 0.43236 0.34430 1.00000
Nd3 Nd 0.56764 0.14247 0.65570 1.00000
Nd4 Nd 0.43236 0.85753 0.34430 1.00000
Nd5 Nd 0.14247 0.56764 0.65570 1.00000
Nd6 Nd 0.88984 0.88984 0.14370 1.00000
Ho1 Ho 0.50000 0.50000 0.00000 1.00000
H1 H 0.00000 0.00000 0.50000 1.00000
Pt1 Pt 0.71911 0.71911 0.78878 1.00000
Pt2 Pt 0.28089 0.28089 0.21122 1.00000
获取直接链接