Sc(H3Pt2)2
Alexandria ALEXAlex-ID: agm007338595 · 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
AB4C6_237_spg8
H10Pt H3Pt ScPt3
2024-03-05 19:19:34.789952
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007338595).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm007338595
data_agm007338595
_cell_length_a 5.16169
_cell_length_b 5.16169
_cell_length_c 5.11493
_cell_angle_alpha 79.95167
_cell_angle_beta 79.95167
_cell_angle_gamma 120.25504
_cell_volume 110.25598
_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
Sc1 Sc 0.91706 0.91706 0.09246 1.00000
H1 H 0.36680 0.36680 0.92467 1.00000
H2 H 0.51743 0.78959 0.68499 1.00000
H3 H 0.12318 0.12318 0.65078 1.00000
H4 H 0.25541 0.57902 0.40698 1.00000
H5 H 0.78959 0.51743 0.68499 1.00000
H6 H 0.57902 0.25541 0.40698 1.00000
Pt1 Pt 0.29760 0.63725 0.04236 1.00000
Pt2 Pt 0.84509 0.17164 0.53195 1.00000
Pt3 Pt 0.63725 0.29760 0.04236 1.00000
Pt4 Pt 0.17164 0.84509 0.53195 1.00000
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