Zn2H5Pt2
Alexandria ALEXAlex-ID: agm007131797 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C5_2314_spg1
H2 ZnPt
2025-05-27 00:33:57
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007131797).
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}
}
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# CIF generated by HEAS from Alexandria entry agm007131797
data_agm007131797
_cell_length_a 4.91407
_cell_length_b 5.63527
_cell_length_c 7.12693
_cell_angle_alpha 112.68156
_cell_angle_beta 99.14958
_cell_angle_gamma 89.56441
_cell_volume 179.46665
_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
Zn1 Zn 0.23449 0.45901 0.13783 1.00000
Zn2 Zn 0.95147 0.45761 0.74234 1.00000
Zn3 Zn 0.77674 0.25389 0.35430 1.00000
Zn4 Zn 0.09623 0.91462 0.60404 1.00000
H1 H 0.68536 0.82324 0.06188 1.00000
H2 H 0.19760 0.76270 0.99080 1.00000
H3 H 0.67279 0.18806 0.00874 1.00000
H4 H 0.22262 0.08146 0.92434 1.00000
H5 H 0.14653 0.10186 0.26695 1.00000
H6 H 0.73065 0.85318 0.73058 1.00000
H7 H 0.83695 0.68102 0.32927 1.00000
H8 H 0.50361 0.38114 0.79631 1.00000
H9 H 0.31427 0.59524 0.57085 1.00000
H10 H 0.55588 0.00850 0.44136 1.00000
Pt1 Pt 0.96554 0.97029 0.99563 1.00000
Pt2 Pt 0.71154 0.50458 0.04487 1.00000
Pt3 Pt 0.32174 0.25503 0.52394 1.00000
Pt4 Pt 0.57601 0.70858 0.47599 1.00000
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