Tb(H3Pt2)2
Alexandria ALEXAlex-ID: agm006518436 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C6_187_spg121
Tb2HPt6 Tb(H3Pt)4 Pt
2024-02-28 20:59:30.857453
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006518436).
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 agm006518436
data_agm006518436
_cell_length_a 4.40171
_cell_length_b 5.52380
_cell_length_c 5.99546
_cell_angle_alpha 65.64736
_cell_angle_beta 79.89562
_cell_angle_gamma 67.41051
_cell_volume 122.59035
_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 0.19962 0.09501 0.98916 1.00000
H1 H 0.59698 0.78231 0.41160 1.00000
H2 H 0.58250 0.38078 0.80005 1.00000
H3 H 0.68780 0.14978 0.29729 1.00000
H4 H 0.93071 0.11055 0.60281 1.00000
H5 H 0.09442 0.41285 0.48231 1.00000
H6 H 0.75332 0.67951 0.08988 1.00000
Pt1 Pt 0.33449 0.07842 0.47981 1.00000
Pt2 Pt 0.37621 0.56252 0.48443 1.00000
Pt3 Pt 0.52750 0.45785 0.05340 1.00000
Pt4 Pt 0.91628 0.79045 0.80932 1.00000
获取直接链接