HfH4RuPt2
Alexandria ALEXAlex-ID: agm007104546 · 空间群: C2 (#5)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D4_39_spg82
H8Ru3 HfH3Ru HfPt3 H2
2024-03-26 03:55:56.068193
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007104546).
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
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# CIF generated by HEAS from Alexandria entry agm007104546
data_agm007104546
_cell_length_a 4.21167
_cell_length_b 4.21514
_cell_length_c 5.18312
_cell_angle_alpha 65.80844
_cell_angle_beta 65.80137
_cell_angle_gamma 89.61842
_cell_volume 75.10619
_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
Hf1 Hf 0.89126 0.89048 0.39175 1.00000
H1 H 0.07188 0.22669 0.86361 1.00000
H2 H 0.43525 0.98046 0.30354 1.00000
H3 H 0.80525 0.34653 0.47946 1.00000
H4 H 0.55521 0.71057 0.92026 1.00000
Ru1 Ru 0.64140 0.14093 0.89164 1.00000
Pt1 Pt 0.39047 0.39230 0.39176 1.00000
Pt2 Pt 0.14001 0.64232 0.89148 1.00000
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