TmH6Pt
Alexandria ALEXAlex-ID: agm006646017 · 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
ABC6_599_spg12
Tm(H3Pt)4 TmH3 H2
2024-03-05 19:36:01.159127
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006646017).
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 agm006646017
data_agm006646017
_cell_length_a 4.50010
_cell_length_b 4.50010
_cell_length_c 4.30586
_cell_angle_alpha 62.15048
_cell_angle_beta 62.15048
_cell_angle_gamma 87.72826
_cell_volume 66.36588
_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
Tm1 Tm 0.50000 0.50000 0.00000 1.00000
H1 H 0.65345 0.65345 0.35091 1.00000
H2 H 0.19667 0.82329 0.27097 1.00000
H3 H 0.82329 0.19667 0.27097 1.00000
H4 H 0.80333 0.17671 0.72903 1.00000
H5 H 0.34655 0.34655 0.64909 1.00000
H6 H 0.17671 0.80333 0.72903 1.00000
Pt1 Pt 0.00000 0.00000 0.00000 1.00000
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