Pm2H5Pt2
Alexandria ALEXAlex-ID: agm006989132 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C5_400_spg12
PmH3Pt PmH3 PmPt2
2024-03-26 04:49:57.844033
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006989132).
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 agm006989132
data_agm006989132
_cell_length_a 4.80290
_cell_length_b 3.87101
_cell_length_c 6.15817
_cell_angle_alpha 108.35659
_cell_angle_beta 88.07967
_cell_angle_gamma 90.01132
_cell_volume 108.59951
_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
Pm1 Pm 0.24704 0.09943 0.31013 1.00000
Pm2 Pm 0.75184 0.82957 0.76994 1.00000
H1 H 0.49769 0.28209 0.67558 1.00000
H2 H 0.51292 0.65363 0.41750 1.00000
H3 H 0.75883 0.04443 0.20028 1.00000
H4 H 0.98616 0.27287 0.65661 1.00000
H5 H 0.24549 0.88741 0.88592 1.00000
Pt1 Pt 0.23895 0.38922 0.88961 1.00000
Pt2 Pt 0.76107 0.54134 0.19442 1.00000
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