TbAs(H3Pt)2
Alexandria ALEXAlex-ID: agm008015129 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D6_3272_spg2
TbH3Pt TbH5Pt Tb(H3Pt)4 As2Pt
2025-05-29 03:23:03
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008015129).
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
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# CIF generated by HEAS from Alexandria entry agm008015129
data_agm008015129
_cell_length_a 4.53382
_cell_length_b 8.79542
_cell_length_c 6.44264
_cell_angle_alpha 111.73225
_cell_angle_beta 87.65158
_cell_angle_gamma 111.02439
_cell_volume 221.51064
_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 0.31900 0.75092 0.20686 1.00000
Tb2 Tb 0.68100 0.24908 0.79314 1.00000
As1 As 0.28835 0.35878 0.58133 1.00000
As2 As 0.71165 0.64122 0.41867 1.00000
H1 H 0.28049 0.94989 0.62376 1.00000
H2 H 0.21778 0.39828 0.96303 1.00000
H3 H 0.71951 0.05011 0.37624 1.00000
H4 H 0.78222 0.60172 0.03697 1.00000
H5 H 0.13339 0.81811 0.90286 1.00000
H6 H 0.34303 0.18756 0.07840 1.00000
H7 H 0.86661 0.18189 0.09714 1.00000
H8 H 0.65697 0.81244 0.92160 1.00000
H9 H 0.81018 0.99062 0.69960 1.00000
H10 H 0.99865 0.50641 0.29092 1.00000
H11 H 0.18982 0.00938 0.30040 1.00000
H12 H 0.00135 0.49359 0.70908 1.00000
Pt1 Pt 0.78898 0.62920 0.79478 1.00000
Pt2 Pt 0.53174 0.12224 0.24209 1.00000
Pt3 Pt 0.21102 0.37080 0.20522 1.00000
Pt4 Pt 0.46826 0.87776 0.75791 1.00000
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