Na2SnH6Pt
Alexandria ALEXAlex-ID: agm007406974 · 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
ABC2D6_438_spg1
Na2H6Pt Sn
2024-02-08 01:09:09
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007406974).
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 agm007406974
data_agm007406974
_cell_length_a 5.37896
_cell_length_b 5.16059
_cell_length_c 5.12402
_cell_angle_alpha 89.63335
_cell_angle_beta 108.90675
_cell_angle_gamma 108.22994
_cell_volume 127.09214
_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
Na1 Na 0.48747 0.75146 0.27987 1.00000
Na2 Na 0.48795 0.28221 0.74989 1.00000
Sn1 Sn 0.97810 0.03838 0.03767 1.00000
H1 H 0.87205 0.60586 0.60981 1.00000
H2 H 0.56540 0.24975 0.25175 1.00000
H3 H 0.24541 0.54730 0.54528 1.00000
H4 H 0.93222 0.15892 0.62186 1.00000
H5 H 0.60379 0.85960 0.85218 1.00000
H6 H 0.92180 0.62016 0.15960 1.00000
Pt1 Pt 0.90786 0.39236 0.39311 1.00000
获取直接链接