H4Pt
Alexandria ALEXAlex-ID: agm074344682 · 空间群: C222 (#21)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4_2334_spg180
H10Pt H3Pt
2025-05-28 01:34:32
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm074344682).
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 agm074344682
data_agm074344682
_cell_length_a 4.54175
_cell_length_b 4.54175
_cell_length_c 8.20072
_cell_angle_alpha 90.35116
_cell_angle_beta 89.64884
_cell_angle_gamma 60.03653
_cell_volume 146.53996
_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
H1 H 0.24295 0.72538 0.99717 1.00000
H2 H 0.71842 0.12754 0.32450 1.00000
H3 H 0.84028 0.25945 0.67842 1.00000
H4 H 0.12754 0.71842 0.67550 1.00000
H5 H 0.25945 0.84028 0.32158 1.00000
H6 H 0.72538 0.24295 0.00283 1.00000
H7 H 0.59340 0.97801 0.82813 1.00000
H8 H 0.99641 0.37859 0.17203 1.00000
H9 H 0.38746 0.59832 0.49974 1.00000
H10 H 0.37859 0.99641 0.82797 1.00000
H11 H 0.59832 0.38746 0.50026 1.00000
H12 H 0.97801 0.59340 0.17187 1.00000
Pt1 Pt 0.98553 0.98786 0.83661 1.00000
Pt2 Pt 0.98786 0.98553 0.16339 1.00000
Pt3 Pt 0.98998 0.98998 0.50000 1.00000
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