Sc2H2Rh5
Alexandria ALEXAlex-ID: agm007268673 · 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
A2B2C5_312_spg12
ScHRh3 ScH3Rh ScRh
2024-03-26 02:23:58.971190
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007268673).
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 agm007268673
data_agm007268673
_cell_length_a 4.89335
_cell_length_b 4.89335
_cell_length_c 6.51395
_cell_angle_alpha 74.18000
_cell_angle_beta 74.18000
_cell_angle_gamma 53.33093
_cell_volume 119.14442
_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
Sc1 Sc 0.35043 0.35043 0.27532 1.00000
Sc2 Sc 0.64957 0.64957 0.72468 1.00000
H1 H 0.17326 0.17326 0.60153 1.00000
H2 H 0.82674 0.82674 0.39847 1.00000
Rh1 Rh 0.35330 0.35330 0.70760 1.00000
Rh2 Rh 0.64670 0.64670 0.29240 1.00000
Rh3 Rh 0.12004 0.12004 0.06466 1.00000
Rh4 Rh 0.87996 0.87996 0.93534 1.00000
Rh5 Rh 0.00000 0.00000 0.50000 1.00000
