Tb2H2Pt5
Alexandria ALEXAlex-ID: agm007098677 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C5_714_spg2
TbH3Pt Tb2HPt6 TbPt3
2024-03-10 17:26:18.878441
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007098677).
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 agm007098677
data_agm007098677
_cell_length_a 7.88174
_cell_length_b 7.88174
_cell_length_c 7.88174
_cell_angle_alpha 34.39692
_cell_angle_beta 34.39692
_cell_angle_gamma 34.39692
_cell_volume 139.37793
_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
Tb1 Tb 0.92499 0.92499 0.92499 1.00000
Tb2 Tb 0.07501 0.07501 0.07501 1.00000
H1 H 0.58455 0.58455 0.58455 1.00000
H2 H 0.41545 0.41545 0.41545 1.00000
Pt1 Pt 0.80111 0.80111 0.80111 1.00000
Pt2 Pt 0.19889 0.19889 0.19889 1.00000
Pt3 Pt 0.66598 0.66598 0.66598 1.00000
Pt4 Pt 0.33402 0.33402 0.33402 1.00000
Pt5 Pt 0.50000 0.50000 0.50000 1.00000
