TlH7(IrPt)2
Alexandria ALEXAlex-ID: agm006491998 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2D7_351_spg5
TlH6Ir TlHPt H3Pt Ir
2024-03-04 01:27:30.529415
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006491998).
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 agm006491998
data_agm006491998
_cell_length_a 3.36264
_cell_length_b 5.96104
_cell_length_c 7.17642
_cell_angle_alpha 115.16304
_cell_angle_beta 103.51404
_cell_angle_gamma 90.00725
_cell_volume 125.78250
_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
Tl1 Tl 0.62759 0.31254 0.44383 1.00000
H1 H 0.94735 0.28283 0.08644 1.00000
H2 H 0.39663 0.00712 0.98665 1.00000
H3 H 0.73680 0.83214 0.66171 1.00000
H4 H 0.27600 0.65512 0.73740 1.00000
H5 H 0.92873 0.82349 0.04891 1.00000
H6 H 0.55506 0.67879 0.29801 1.00000
H7 H 0.13739 0.92165 0.46190 1.00000
Ir1 Ir 0.04257 0.58355 0.27346 1.00000
Ir2 Ir 0.25639 0.91690 0.70138 1.00000
Pt1 Pt 0.82476 0.30866 0.84040 1.00000
Pt2 Pt 0.41559 0.73761 0.02263 1.00000
获取直接链接