Sc4CuPd3
Alexandria ALEXAlex-ID: agm012890104 · 空间群: I4/mmm (#139)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C4_344_spg139
Sc2CuPd Sc5CuPd4
2024-08-04 19:54:31.570875
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm012890104).
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 agm012890104
data_agm012890104
_cell_length_a 7.36976
_cell_length_b 7.36976
_cell_length_c 7.36976
_cell_angle_alpha 142.94583
_cell_angle_beta 142.94583
_cell_angle_gamma 53.40660
_cell_volume 144.41726
_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 0.37587 0.87587 0.50000 1.00000
Sc2 Sc 0.62413 0.12413 0.50000 1.00000
Sc3 Sc 0.12413 0.62413 0.50000 1.00000
Sc4 Sc 0.87587 0.37587 0.50000 1.00000
Cu1 Cu 0.50000 0.50000 0.00000 1.00000
Pd1 Pd 0.00000 0.00000 0.00000 1.00000
Pd2 Pd 0.74600 0.74600 0.00000 1.00000
Pd3 Pd 0.25400 0.25400 0.00000 1.00000
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