ScH6PtRh
Alexandria ALEXAlex-ID: agm007073751 · 空间群: R3 (#146)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABCD6_240_spg1
ScH6Rh H10Pt H8Rh3 ScPt3
2025-04-28 18:02:57
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007073751).
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
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# CIF generated by HEAS from Alexandria entry agm007073751
data_agm007073751
_cell_length_a 4.68440
_cell_length_b 4.90987
_cell_length_c 4.91336
_cell_angle_alpha 119.98293
_cell_angle_beta 89.93618
_cell_angle_gamma 121.55198
_cell_volume 78.05005
_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 0.73070 0.11647 0.05806 1.00000
H1 H 0.79244 0.59674 0.51050 1.00000
H2 H 0.28727 0.80324 0.24668 1.00000
H3 H 0.28606 0.17498 0.92990 1.00000
H4 H 0.28719 0.48701 0.55714 1.00000
H5 H 0.79281 0.72547 0.08551 1.00000
H6 H 0.79292 0.15005 0.63881 1.00000
Pt1 Pt 0.52473 0.31272 0.65656 1.00000
Rh1 Rh 0.50596 0.63336 0.31668 1.00000
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