Ho2ErNi
Alexandria ALEXAlex-ID: agm069683264 · 空间群: Pnma (#62)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_547_spg62
HoEr2Ni Ho3Ni
2025-03-12 03:29:47
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm069683264).
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 agm069683264
data_agm069683264
_cell_length_a 6.22203
_cell_length_b 9.55186
_cell_length_c 13.66262
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 811.99586
_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
Ho1 Ho 0.40493 0.43160 0.28521 1.00000
Ho2 Ho 0.90493 0.56840 0.21479 1.00000
Ho3 Ho 0.59507 0.93160 0.71479 1.00000
Ho4 Ho 0.09507 0.06840 0.78521 1.00000
Ho5 Ho 0.59507 0.56840 0.71479 1.00000
Ho6 Ho 0.09507 0.43160 0.78521 1.00000
Ho7 Ho 0.40493 0.06840 0.28521 1.00000
Ho8 Ho 0.90493 0.93160 0.21479 1.00000
Ho9 Ho 0.74875 0.93250 0.46451 1.00000
Ho10 Ho 0.24875 0.06750 0.03549 1.00000
Ho11 Ho 0.25125 0.43250 0.53549 1.00000
Ho12 Ho 0.75125 0.56750 0.96451 1.00000
Ho13 Ho 0.25125 0.06750 0.53549 1.00000
Ho14 Ho 0.75125 0.93250 0.96451 1.00000
Ho15 Ho 0.74875 0.56750 0.46451 1.00000
Ho16 Ho 0.24875 0.43250 0.03549 1.00000
Er1 Er 0.93407 0.25000 0.35577 1.00000
Er2 Er 0.43407 0.75000 0.14423 1.00000
Er3 Er 0.06593 0.75000 0.64423 1.00000
Er4 Er 0.56593 0.25000 0.85577 1.00000
Er5 Er 0.72828 0.25000 0.10821 1.00000
Er6 Er 0.22828 0.75000 0.39179 1.00000
Er7 Er 0.27172 0.75000 0.89179 1.00000
Er8 Er 0.77172 0.25000 0.60821 1.00000
Ni1 Ni 0.14071 0.25000 0.18103 1.00000
Ni2 Ni 0.64071 0.75000 0.31897 1.00000
Ni3 Ni 0.85929 0.75000 0.81897 1.00000
Ni4 Ni 0.35929 0.25000 0.68103 1.00000
Ni5 Ni 0.52144 0.25000 0.43637 1.00000
Ni6 Ni 0.02144 0.75000 0.06363 1.00000
Ni7 Ni 0.47856 0.75000 0.56363 1.00000
Ni8 Ni 0.97856 0.25000 0.93637 1.00000
