Y2Ho12Zr
Alexandria ALEXAlex-ID: agm005771045 · 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
AB2C12_71_spg67
Y5Ho YHo8 Zr
2023-07-18 16:04:14.946125
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005771045).
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 agm005771045
data_agm005771045
_cell_length_a 6.61720
_cell_length_b 6.61720
_cell_length_c 23.74112
_cell_angle_alpha 86.33030
_cell_angle_beta 93.66970
_cell_angle_gamma 64.35076
_cell_volume 930.32912
_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
Y1 Y 0.52897 0.97103 0.26559 1.00000
Y2 Y 0.03228 0.46772 0.26656 1.00000
Y3 Y 0.97103 0.52897 0.73441 1.00000
Y4 Y 0.46772 0.03228 0.73344 1.00000
Ho1 Ho 0.50780 0.48928 0.80472 1.00000
Ho2 Ho 0.01072 0.99220 0.80472 1.00000
Ho3 Ho 0.76511 0.73489 0.87948 1.00000
Ho4 Ho 0.32243 0.66879 0.93448 1.00000
Ho5 Ho 0.05552 0.94282 0.32656 1.00000
Ho6 Ho 0.17757 0.83121 0.06552 1.00000
Ho7 Ho 0.64811 0.35318 0.55637 1.00000
Ho8 Ho 0.55718 0.44448 0.32656 1.00000
Ho9 Ho 0.26909 0.23091 0.87832 1.00000
Ho10 Ho 0.73489 0.76511 0.12052 1.00000
Ho11 Ho 0.15653 0.34347 0.57795 1.00000
Ho12 Ho 0.85189 0.14682 0.44363 1.00000
Ho13 Ho 0.94282 0.05552 0.67344 1.00000
Ho14 Ho 0.34347 0.15653 0.42205 1.00000
Ho15 Ho 0.23091 0.26909 0.12168 1.00000
Ho16 Ho 0.84536 0.65464 0.42393 1.00000
Ho17 Ho 0.65464 0.84536 0.57607 1.00000
Ho18 Ho 0.99220 0.01072 0.19528 1.00000
Ho19 Ho 0.14682 0.85189 0.55637 1.00000
Ho20 Ho 0.44448 0.55718 0.67344 1.00000
Ho21 Ho 0.83121 0.17757 0.93448 1.00000
Ho22 Ho 0.48928 0.50780 0.19528 1.00000
Ho23 Ho 0.35318 0.64811 0.44363 1.00000
Ho24 Ho 0.66879 0.32243 0.06552 1.00000
Zr1 Zr 0.51909 0.98091 0.99642 1.00000
Zr2 Zr 0.98091 0.51909 0.00358 1.00000
