CeCdSnPt3
Alexandria ALEXAlex-ID: agm005042829 · 空间群: Cmcm (#63)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABCD3_372_spg63
Cd4Pt CeSnPt2 CdSnPt CeCdPt4
2022-07-05 14:11:47.183228
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005042829).
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 agm005042829
data_agm005042829
_cell_length_a 7.49866
_cell_length_b 5.75239
_cell_length_c 6.84232
_cell_angle_alpha 114.85690
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 267.80312
_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
Ce1 Ce 0.75000 0.35483 0.70966 1.00000
Ce2 Ce 0.25000 0.64517 0.29034 1.00000
Cd1 Cd 0.25000 0.89869 0.79738 1.00000
Cd2 Cd 0.75000 0.10131 0.20262 1.00000
Sn1 Sn 0.25000 0.36009 0.72018 1.00000
Sn2 Sn 0.75000 0.63991 0.27982 1.00000
Pt1 Pt 0.25000 0.14583 0.29165 1.00000
Pt2 Pt 0.00000 0.26028 1.00000 1.00000
Pt3 Pt 0.50000 0.73972 0.00000 1.00000
Pt4 Pt 0.50000 0.26028 1.00000 1.00000
Pt5 Pt 0.00000 0.73972 0.00000 1.00000
Pt6 Pt 0.75000 0.85417 0.70835 1.00000
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