Sc(H2Pt)4
Alexandria ALEXAlex-ID: agm006567448 · 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
AB4C8_359_spg2
H10Pt H3Pt ScPt3
2024-02-29 22:53:29.008686
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006567448).
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 agm006567448
data_agm006567448
_cell_length_a 5.25621
_cell_length_b 5.25621
_cell_length_c 4.98243
_cell_angle_alpha 85.12482
_cell_angle_beta 85.12482
_cell_angle_gamma 84.68591
_cell_volume 136.15238
_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 0.50000 0.50000 0.50000 1.00000
H1 H 0.86574 0.44469 0.23496 1.00000
H2 H 0.44469 0.86574 0.23496 1.00000
H3 H 0.35959 0.35959 0.13104 1.00000
H4 H 0.93607 0.93607 0.37673 1.00000
H5 H 0.06393 0.06393 0.62327 1.00000
H6 H 0.64041 0.64041 0.86896 1.00000
H7 H 0.55531 0.13426 0.76504 1.00000
H8 H 0.13426 0.55531 0.76504 1.00000
Pt1 Pt 0.70520 0.29480 0.00000 1.00000
Pt2 Pt 0.29480 0.70520 0.00000 1.00000
Pt3 Pt 0.20379 0.20379 0.83418 1.00000
Pt4 Pt 0.79621 0.79621 0.16582 1.00000
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