ErHfPt
Alexandria ALEXAlex-ID: agm005677201 · 空间群: P-62m (#189)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC_7266_spg189
Er5Pt3 ErHf3Pt2 Hf
2023-06-17 07:40:21.018859
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005677201).
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 agm005677201
data_agm005677201
_cell_length_a 7.03602
_cell_length_b 8.45561
_cell_length_c 8.45561
_cell_angle_alpha 67.00066
_cell_angle_beta 65.41416
_cell_angle_gamma 65.41415
_cell_volume 401.31209
_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
Er1 Er 0.16684 0.04341 0.54341 1.00000
Er2 Er 0.75366 0.95659 0.45659 1.00000
Er3 Er 0.34001 0.75000 0.25000 1.00000
Er4 Er 0.34001 0.25000 0.75000 1.00000
Er5 Er 0.75370 0.45661 0.95661 1.00000
Er6 Er 0.16693 0.54339 0.04339 1.00000
Hf1 Hf 0.00720 1.00000 0.00000 1.00000
Hf2 Hf 0.00719 0.50000 0.50000 1.00000
Hf3 Hf 0.75302 0.37322 0.37322 1.00000
Hf4 Hf 0.49946 0.62678 0.62678 1.00000
Hf5 Hf 0.49946 0.12678 0.12678 1.00000
Hf6 Hf 0.75302 0.87322 0.87322 1.00000
Pt1 Pt 0.75390 0.25007 0.75007 1.00000
Pt2 Pt 0.75404 0.74993 0.24993 1.00000
Pt3 Pt 0.08588 0.16690 0.16692 1.00000
Pt4 Pt 0.41970 0.83310 0.83308 1.00000
Pt5 Pt 0.41970 0.33308 0.33310 1.00000
Pt6 Pt 0.08588 0.66692 0.66690 1.00000
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