Sc6Ni5Rh
Alexandria ALEXAlex-ID: agm040895718 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB5C6_53_spg71
Sc6NiRh5 ScNi
2024-12-20 11:12:03
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm040895718).
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 agm040895718
data_agm040895718
_cell_length_a 7.80108
_cell_length_b 7.80108
_cell_length_c 7.80108
_cell_angle_alpha 146.44324
_cell_angle_beta 131.95860
_cell_angle_gamma 59.87209
_cell_volume 193.37583
_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 0.08083 0.83222 0.24862 1.00000
Sc2 Sc 0.41640 0.16778 0.24862 1.00000
Sc3 Sc 0.91917 0.16778 0.75138 1.00000
Sc4 Sc 0.75309 0.50000 0.25309 1.00000
Sc5 Sc 0.24691 0.50000 0.74691 1.00000
Sc6 Sc 0.58360 0.83222 0.75138 1.00000
Ni1 Ni 0.83293 0.33293 0.50000 1.00000
Ni2 Ni 0.16707 0.66707 0.50000 1.00000
Ni3 Ni 0.00000 0.00000 0.00000 1.00000
Ni4 Ni 0.33496 0.33496 0.00000 1.00000
Ni5 Ni 0.66504 0.66504 0.00000 1.00000
Rh1 Rh 0.50000 0.00000 0.50000 1.00000
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