Ho12Tl5Rh2
Alexandria ALEXAlex-ID: agm003371339 · 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
A2B5C12_37_spg12
Ho4TlRh Ho5Tl3 Ho5Tl4
2022-02-07 13:16:03.083638
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003371339).
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 agm003371339
data_agm003371339
_cell_length_a 7.58526
_cell_length_b 9.23259
_cell_length_c 9.66408
_cell_angle_alpha 103.89129
_cell_angle_beta 90.00000
_cell_angle_gamma 114.25429
_cell_volume 595.27382
_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
Ho1 Ho 0.98624 0.97248 0.17326 1.00000
Ho2 Ho 0.09728 0.67368 0.90763 1.00000
Ho3 Ho 0.57640 0.67368 0.90763 1.00000
Ho4 Ho 0.10011 0.70075 0.42712 1.00000
Ho5 Ho 0.60064 0.70075 0.42712 1.00000
Ho6 Ho 0.49693 0.99386 0.75934 1.00000
Ho7 Ho 0.50307 0.00614 0.24066 1.00000
Ho8 Ho 0.89989 0.29925 0.57288 1.00000
Ho9 Ho 0.39936 0.29925 0.57288 1.00000
Ho10 Ho 0.90272 0.32632 0.09237 1.00000
Ho11 Ho 0.42360 0.32632 0.09237 1.00000
Ho12 Ho 0.01376 0.02752 0.82674 1.00000
Tl1 Tl 0.30133 0.60266 0.63826 1.00000
Tl2 Tl 0.31023 0.62047 0.16119 1.00000
Tl3 Tl 0.00000 0.00000 0.50000 1.00000
Tl4 Tl 0.68977 0.37953 0.83881 1.00000
Tl5 Tl 0.69867 0.39734 0.36174 1.00000
Rh1 Rh 0.71125 1.00000 1.00000 1.00000
Rh2 Rh 0.28875 0.00000 0.00000 1.00000
获取直接链接