Cd4Pt3
Alexandria ALEXAlex-ID: agm005486985 · 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
A3B4_16_spg71
Cd2Pt CdPt
2023-03-17 22:53:55.009086
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005486985).
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 agm005486985
data_agm005486985
_cell_length_a 10.80223
_cell_length_b 10.80223
_cell_length_c 10.80223
_cell_angle_alpha 161.35099
_cell_angle_beta 161.35099
_cell_angle_gamma 26.49279
_cell_volume 128.84196
_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
Cd1 Cd 0.15059 0.15059 0.00000 1.00000
Cd2 Cd 0.43016 0.43016 0.00000 1.00000
Cd3 Cd 0.56984 0.56984 0.00000 1.00000
Cd4 Cd 0.84941 0.84941 0.00000 1.00000
Pt1 Pt 0.00000 0.00000 0.00000 1.00000
Pt2 Pt 0.28683 0.28683 0.00000 1.00000
Pt3 Pt 0.71317 0.71317 0.00000 1.00000
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