Th2Cu3Pt
Alexandria ALEXAlex-ID: agm003427824 · 空间群: Fmmm (#69)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_194_spg69
Th14Cu51 ThCu2 ThPt
2022-02-12 23:57:10.561975
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003427824).
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 agm003427824
data_agm003427824
_cell_length_a 5.69208
_cell_length_b 5.69208
_cell_length_c 8.78584
_cell_angle_alpha 112.71396
_cell_angle_beta 112.71396
_cell_angle_gamma 78.93044
_cell_volume 241.90946
_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 0.75000 0.25000 0.50000 1.00000
Th2 Th 0.74765 0.25235 0.00000 1.00000
Th3 Th 0.25000 0.75000 0.50000 1.00000
Th4 Th 0.25235 0.74765 0.00000 1.00000
Cu1 Cu 0.83851 0.83851 0.16214 1.00000
Cu2 Cu 0.67637 0.67637 0.83786 1.00000
Cu3 Cu 0.16149 0.16149 0.83786 1.00000
Cu4 Cu 0.32363 0.32363 0.16214 1.00000
Cu5 Cu 0.16168 0.16168 0.32337 1.00000
Cu6 Cu 0.83832 0.83832 0.67663 1.00000
Pt1 Pt 0.66651 0.66651 0.33301 1.00000
Pt2 Pt 0.33349 0.33349 0.66699 1.00000
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