Th(ScCu3)2
Alexandria ALEXAlex-ID: agm005609449 · 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
AB2C6_98_spg71
ScCu2 ThCu2
2023-07-09 08:16:05.922016
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005609449).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm005609449
data_agm005609449
_cell_length_a 3.35192
_cell_length_b 7.22085
_cell_length_c 7.59077
_cell_angle_alpha 118.40061
_cell_angle_beta 102.46419
_cell_angle_gamma 90.00001
_cell_volume 156.67217
_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
Th1 Th 0.00000 0.00000 0.00000 1.00000
Sc1 Sc 0.86615 0.35954 0.71908 1.00000
Sc2 Sc 0.13384 0.64046 0.28091 1.00000
Cu1 Cu 0.67411 0.99129 0.35797 1.00000
Cu2 Cu 0.32589 0.00871 0.64203 1.00000
Cu3 Cu 0.32589 0.63332 0.64203 1.00000
Cu4 Cu 0.50000 0.32903 1.00000 1.00000
Cu5 Cu 0.50000 0.67097 1.00000 1.00000
Cu6 Cu 0.67411 0.36668 0.35797 1.00000
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