NdHo2Al3
Alexandria ALEXAlex-ID: agm034307798 · 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
AB2C3_2913_spg63
HoAl NdAl
2025-04-13 13:32:31
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034307798).
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 agm034307798
data_agm034307798
_cell_length_a 16.14764
_cell_length_b 16.14764
_cell_length_c 5.37979
_cell_angle_alpha 87.20774
_cell_angle_beta 92.79226
_cell_angle_gamma 155.62574
_cell_volume 578.19257
_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 0.70946 0.29054 0.24899 1.00000
Nd2 Nd 0.29054 0.70946 0.75101 1.00000
Nd3 Nd 0.45242 0.54758 0.67422 1.00000
Nd4 Nd 0.54758 0.45242 0.32578 1.00000
Ho1 Ho 0.62206 0.37794 0.84331 1.00000
Ho2 Ho 0.21615 0.78385 0.24195 1.00000
Ho3 Ho 0.78385 0.21615 0.75805 1.00000
Ho4 Ho 0.37794 0.62206 0.15669 1.00000
Ho5 Ho 0.88136 0.11864 0.12786 1.00000
Ho6 Ho 0.95513 0.04487 0.65988 1.00000
Ho7 Ho 0.04487 0.95513 0.34012 1.00000
Ho8 Ho 0.11864 0.88136 0.87214 1.00000
Al1 Al 0.42446 0.02477 0.73537 1.00000
Al2 Al 0.97523 0.57554 0.73537 1.00000
Al3 Al 0.57554 0.97523 0.26463 1.00000
Al4 Al 0.02477 0.42446 0.26463 1.00000
Al5 Al 0.64585 0.91081 0.62307 1.00000
Al6 Al 0.08919 0.35415 0.62307 1.00000
Al7 Al 0.20395 0.27314 0.15822 1.00000
Al8 Al 0.72686 0.79605 0.15822 1.00000
Al9 Al 0.79605 0.72686 0.84178 1.00000
Al10 Al 0.27314 0.20395 0.84178 1.00000
Al11 Al 0.35415 0.08919 0.37693 1.00000
Al12 Al 0.91081 0.64585 0.37693 1.00000
