Ce6SiPt8
Alexandria ALEXAlex-ID: agm072575327 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB6C8_221_spg2
Ce3SiPt5 CePt
2024-10-11 17:47:32.601606
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072575327).
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 agm072575327
data_agm072575327
_cell_length_a 6.07960
_cell_length_b 7.37273
_cell_length_c 8.76927
_cell_angle_alpha 119.72402
_cell_angle_beta 93.31063
_cell_angle_gamma 101.11510
_cell_volume 329.47844
_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 0.53815 0.62828 0.74813 1.00000
Ce2 Ce 0.03282 0.80260 0.55683 1.00000
Ce3 Ce 0.75146 0.25596 0.84937 1.00000
Ce4 Ce 0.46185 0.37172 0.25187 1.00000
Ce5 Ce 0.96718 0.19740 0.44317 1.00000
Ce6 Ce 0.24854 0.74404 0.15063 1.00000
Si1 Si 0.00000 0.00000 0.00000 1.00000
Pt1 Pt 0.65234 0.98186 0.11406 1.00000
Pt2 Pt 0.34766 0.01814 0.88594 1.00000
Pt3 Pt 0.97926 0.39037 0.21467 1.00000
Pt4 Pt 0.44893 0.16957 0.47606 1.00000
Pt5 Pt 0.76668 0.68898 0.19154 1.00000
Pt6 Pt 0.02074 0.60963 0.78533 1.00000
Pt7 Pt 0.55107 0.83043 0.52394 1.00000
Pt8 Pt 0.23332 0.31102 0.80846 1.00000
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