AgH4Pd2Pt
Alexandria ALEXAlex-ID: agm007493418 · 空间群: I-4 (#82)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D4_39_spg82
AgHPd Ag3Pt2 H3Pt HPd
2024-04-13 15:18:28
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007493418).
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 agm007493418
data_agm007493418
_cell_length_a 4.27423
_cell_length_b 4.26956
_cell_length_c 5.32095
_cell_angle_alpha 113.31812
_cell_angle_beta 113.34552
_cell_angle_gamma 90.78471
_cell_volume 80.17841
_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
Ag1 Ag 0.48674 0.98674 0.97373 1.00000
H1 H 0.05669 0.56816 0.68638 1.00000
H2 H 0.90014 0.84171 0.25260 1.00000
H3 H 0.35289 0.41127 0.25238 1.00000
H4 H 0.62921 0.11770 0.68694 1.00000
Pd1 Pd 0.98654 0.48661 0.97324 1.00000
Pd2 Pd 0.23773 0.23769 0.47494 1.00000
Pt1 Pt 0.73713 0.73717 0.47390 1.00000
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