Ba3(H2Pt)2
Alexandria ALEXAlex-ID: agm007269733 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C4_906_spg71
Ba2H6Pt BaH2 BaPt
2024-03-15 17:19:32.424908
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007269733).
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 agm007269733
data_agm007269733
_cell_length_a 7.08650
_cell_length_b 7.08650
_cell_length_c 7.08650
_cell_angle_alpha 143.09227
_cell_angle_beta 112.94589
_cell_angle_gamma 79.07842
_cell_volume 191.93100
_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
Ba1 Ba 0.82261 0.32261 0.50000 1.00000
Ba2 Ba 0.50000 0.50000 0.00000 1.00000
Ba3 Ba 0.17739 0.67739 0.50000 1.00000
H1 H 0.06154 0.84595 0.21559 1.00000
H2 H 0.36965 0.15405 0.21559 1.00000
H3 H 0.93846 0.15405 0.78441 1.00000
H4 H 0.63035 0.84595 0.78441 1.00000
Pt1 Pt 0.21219 0.00000 0.21219 1.00000
Pt2 Pt 0.78781 0.00000 0.78781 1.00000
获取直接链接