Hg2H5Pt4
Alexandria ALEXAlex-ID: agm005662922 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B4C5_872_spg12
H3Pt Pt Hg4Pt
2023-06-21 15:28:29.264698
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005662922).
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 agm005662922
data_agm005662922
_cell_length_a 4.55587
_cell_length_b 8.56163
_cell_length_c 5.47897
_cell_angle_alpha 118.50900
_cell_angle_beta 65.43284
_cell_angle_gamma 74.56985
_cell_volume 138.98561
_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
Hg1 Hg 0.32502 0.77225 0.57770 1.00000
Hg2 Hg 0.67497 0.22775 0.42230 1.00000
H1 H 0.91892 0.67588 0.00541 1.00000
H2 H 0.08108 0.32412 0.99459 1.00000
H3 H 0.00000 0.50000 0.50000 1.00000
H4 H 0.39979 0.67588 0.00541 1.00000
H5 H 0.60021 0.32412 0.99459 1.00000
Pt1 Pt 0.33060 0.22260 0.11620 1.00000
Pt2 Pt 0.66940 0.77740 0.88380 1.00000
Pt3 Pt 0.89853 0.84961 0.35333 1.00000
Pt4 Pt 0.10147 0.15038 0.64667 1.00000
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