SmGa(H4Pt)2
Alexandria ALEXAlex-ID: agm007606808 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D8_1619_spg2
SmH5Pt H2 GaPt
2024-02-08 18:52:48
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007606808).
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 agm007606808
data_agm007606808
_cell_length_a 4.65000
_cell_length_b 4.87274
_cell_length_c 7.50956
_cell_angle_alpha 81.01558
_cell_angle_beta 98.14549
_cell_angle_gamma 64.44042
_cell_volume 147.38607
_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
Sm1 Sm 0.00000 0.50000 0.50000 1.00000
Ga1 Ga 0.00000 0.00000 0.00000 1.00000
H1 H 0.04466 0.90178 0.64343 1.00000
H2 H 0.79205 0.63660 0.78285 1.00000
H3 H 0.95534 0.09822 0.35657 1.00000
H4 H 0.35747 0.10604 0.78612 1.00000
H5 H 0.64253 0.89396 0.21388 1.00000
H6 H 0.58011 0.38855 0.63609 1.00000
H7 H 0.41989 0.61145 0.36391 1.00000
H8 H 0.20795 0.36340 0.21715 1.00000
Pt1 Pt 0.69452 0.00869 0.70560 1.00000
Pt2 Pt 0.30548 0.99131 0.29440 1.00000
获取直接链接