Tm2H3Au
Alexandria ALEXAlex-ID: agm005807976 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_183_spg12
TmHAu TmH2
2023-07-09 23:58:19.440659
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005807976).
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 agm005807976
data_agm005807976
_cell_length_a 3.59209
_cell_length_b 7.22079
_cell_length_c 7.01375
_cell_angle_alpha 111.46606
_cell_angle_beta 90.00000
_cell_angle_gamma 104.40255
_cell_volume 163.14272
_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 0.46722 0.93444 0.73333 1.00000
Tm2 Tm 0.53278 0.06556 0.26667 1.00000
Tm3 Tm 0.80170 0.60340 0.32265 1.00000
Tm4 Tm 0.19830 0.39660 0.67735 1.00000
H1 H 0.30556 0.61112 0.52184 1.00000
H2 H 0.93834 0.87668 0.58106 1.00000
H3 H 0.59107 0.18215 0.62097 1.00000
H4 H 0.40893 0.81785 0.37903 1.00000
H5 H 0.06166 0.12332 0.41894 1.00000
H6 H 0.69444 0.38888 0.47816 1.00000
Au1 Au 0.86889 0.73779 0.95179 1.00000
Au2 Au 0.13111 0.26221 0.04821 1.00000
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