Sc4CoPd3
Alexandria ALEXAlex-ID: agm014332164 · 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_1512_spg5
Sc3CoPd2 Sc6CoPd5
2025-01-19 05:47:20
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm014332164).
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 agm014332164
data_agm014332164
_cell_length_a 7.38099
_cell_length_b 7.38099
_cell_length_c 7.38099
_cell_angle_alpha 143.81766
_cell_angle_beta 143.81766
_cell_angle_gamma 52.10004
_cell_volume 139.34312
_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 0.37924 0.87924 0.50000 1.00000
Sc2 Sc 0.62076 0.12076 0.50000 1.00000
Sc3 Sc 0.12076 0.62076 0.50000 1.00000
Sc4 Sc 0.87924 0.37924 0.50000 1.00000
Co1 Co 0.00000 0.00000 0.00000 1.00000
Pd1 Pd 0.50000 0.50000 0.00000 1.00000
Pd2 Pd 0.24735 0.24735 0.00000 1.00000
Pd3 Pd 0.75265 0.75265 0.00000 1.00000
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