Si(Ge2Pt)2
Alexandria ALEXAlex-ID: agm096338751 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C4_6192_spg6
Ge3Pt2 Ge SiPt
2025-04-11 12:57:25
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm096338751).
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 agm096338751
data_agm096338751
_cell_length_a 4.23826
_cell_length_b 4.62787
_cell_length_c 6.78501
_cell_angle_alpha 91.54991
_cell_angle_beta 100.39050
_cell_angle_gamma 92.01498
_cell_volume 130.74342
_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
Si1 Si 0.11215 0.47423 0.95210 1.00000
Ge1 Ge 0.57441 0.25193 0.18257 1.00000
Ge2 Ge 0.98096 0.27710 0.60365 1.00000
Ge3 Ge 0.87664 0.72250 0.37696 1.00000
Ge4 Ge 0.50868 0.80977 0.83147 1.00000
Pt1 Pt 0.02042 0.96701 0.06638 1.00000
Pt2 Pt 0.42675 0.99745 0.48688 1.00000
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