Sc2NiSb2Rh
Alexandria ALEXAlex-ID: agm012521189 · 空间群: R3m (#160)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D2_472_spg160
ScSbRh ScNiSb
2024-08-04 19:40:52.391135
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm012521189).
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}
}
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# CIF generated by HEAS from Alexandria entry agm012521189
data_agm012521189
_cell_length_a 7.65453
_cell_length_b 7.65453
_cell_length_c 7.65453
_cell_angle_alpha 33.38796
_cell_angle_beta 33.38796
_cell_angle_gamma 33.38796
_cell_volume 120.94410
_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 0.37297 0.37297 0.37297 1.00000
Sc2 Sc 0.87712 0.87712 0.87712 1.00000
Ni1 Ni 0.00076 0.00076 0.00076 1.00000
Sb1 Sb 0.12221 0.12221 0.12221 1.00000
Sb2 Sb 0.62726 0.62726 0.62726 1.00000
Rh1 Rh 0.49967 0.49967 0.49967 1.00000
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