Ho2Pd2Pt
Alexandria ALEXAlex-ID: agm003405802 · 空间群: Ibam (#72)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2_30_spg72
Ho3Pd5 HoPd3 HoPt
2022-02-11 15:09:44.119852
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003405802).
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 agm003405802
data_agm003405802
_cell_length_a 5.69720
_cell_length_b 6.04382
_cell_length_c 7.64980
_cell_angle_alpha 113.26791
_cell_angle_beta 111.86223
_cell_angle_gamma 90.00000
_cell_volume 221.21055
_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 0.34087 0.57492 0.68175 1.00000
Ho2 Ho 0.65913 0.42508 0.31825 1.00000
Ho3 Ho 0.15913 0.89318 0.31825 1.00000
Ho4 Ho 0.84087 0.10682 0.68175 1.00000
Pd1 Pd 0.88197 0.69030 0.76394 1.00000
Pd2 Pd 0.11803 0.30970 0.23606 1.00000
Pd3 Pd 0.61803 0.92636 0.23606 1.00000
Pd4 Pd 0.38197 0.07364 0.76394 1.00000
Pt1 Pt 0.75000 0.50000 0.00000 1.00000
Pt2 Pt 0.25000 0.50000 0.00000 1.00000
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