HoGePt2
Alexandria ALEXAlex-ID: agm005678523 · 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
HoGePt2
2023-07-12 03:42:43.803429
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005678523).
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 agm005678523
data_agm005678523
_cell_length_a 5.51518
_cell_length_b 7.15734
_cell_length_c 14.82787
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 585.31491
_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 0.48124 0.25000 0.13640 1.00000
Ho2 Ho 0.98124 0.75000 0.36360 1.00000
Ho3 Ho 0.51876 0.75000 0.86360 1.00000
Ho4 Ho 0.01876 0.25000 0.63640 1.00000
Ho5 Ho 0.75614 0.25000 0.38859 1.00000
Ho6 Ho 0.25614 0.75000 0.11141 1.00000
Ho7 Ho 0.24386 0.75000 0.61141 1.00000
Ho8 Ho 0.74386 0.25000 0.88859 1.00000
Ge1 Ge 0.24723 0.25000 0.31843 1.00000
Ge2 Ge 0.74723 0.75000 0.18157 1.00000
Ge3 Ge 0.75277 0.75000 0.68157 1.00000
Ge4 Ge 0.25277 0.25000 0.81843 1.00000
Ge5 Ge 0.97517 0.25000 0.06858 1.00000
Ge6 Ge 0.47517 0.75000 0.43142 1.00000
Ge7 Ge 0.02483 0.75000 0.93142 1.00000
Ge8 Ge 0.52483 0.25000 0.56858 1.00000
Pt1 Pt 0.95828 0.05215 0.21786 1.00000
Pt2 Pt 0.45828 0.94785 0.28214 1.00000
Pt3 Pt 0.04172 0.55215 0.78214 1.00000
Pt4 Pt 0.54172 0.44785 0.71786 1.00000
Pt5 Pt 0.04172 0.94785 0.78214 1.00000
Pt6 Pt 0.54172 0.05215 0.71786 1.00000
Pt7 Pt 0.95828 0.44785 0.21786 1.00000
Pt8 Pt 0.45828 0.55215 0.28214 1.00000
Pt9 Pt 0.73769 0.54902 0.03055 1.00000
Pt10 Pt 0.23769 0.45098 0.46945 1.00000
Pt11 Pt 0.26231 0.04902 0.96945 1.00000
Pt12 Pt 0.76231 0.95098 0.53055 1.00000
Pt13 Pt 0.26231 0.45098 0.96945 1.00000
Pt14 Pt 0.76231 0.54902 0.53055 1.00000
Pt15 Pt 0.73769 0.95098 0.03055 1.00000
Pt16 Pt 0.23769 0.04902 0.46945 1.00000
