AcTh(H3Rh)2
Alexandria ALEXAlex-ID: agm007809103 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D6_475_spg15
AcH4Rh AcH3 Th2(H2Rh)3 ThRh
2024-03-05 18:28:33.446853
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007809103).
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 agm007809103
data_agm007809103
_cell_length_a 6.78631
_cell_length_b 6.78631
_cell_length_c 7.37541
_cell_angle_alpha 61.24196
_cell_angle_beta 61.24196
_cell_angle_gamma 83.63206
_cell_volume 257.81334
_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
Ac1 Ac 0.88037 0.11963 0.25000 1.00000
Ac2 Ac 0.11963 0.88037 0.75000 1.00000
Th1 Th 0.37955 0.62045 0.25000 1.00000
Th2 Th 0.62045 0.37955 0.75000 1.00000
H1 H 0.20062 0.91812 0.33271 1.00000
H2 H 0.08188 0.79938 0.16729 1.00000
H3 H 0.79938 0.08188 0.66729 1.00000
H4 H 0.91812 0.20062 0.83271 1.00000
H5 H 0.17987 0.31552 0.27042 1.00000
H6 H 0.68448 0.82013 0.22958 1.00000
H7 H 0.82013 0.68448 0.72958 1.00000
H8 H 0.31552 0.17987 0.77042 1.00000
H9 H 0.58889 0.34143 0.13868 1.00000
H10 H 0.65857 0.41111 0.36132 1.00000
H11 H 0.41111 0.65857 0.86132 1.00000
H12 H 0.34143 0.58889 0.63868 1.00000
Rh1 Rh 0.14557 0.38678 0.72219 1.00000
Rh2 Rh 0.61322 0.85443 0.77781 1.00000
Rh3 Rh 0.85443 0.61322 0.27781 1.00000
Rh4 Rh 0.38678 0.14557 0.22219 1.00000
获取直接链接