Dy3Si3Pt8
Alexandria ALEXAlex-ID: agm008656993 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B3C8_19_spg12
DySiPt2 DySiPt3
2024-05-05 14:07:03.181547
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008656993).
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 agm008656993
data_agm008656993
_cell_length_a 8.14333
_cell_length_b 8.14333
_cell_length_c 8.50308
_cell_angle_alpha 59.26806
_cell_angle_beta 59.26806
_cell_angle_gamma 31.26632
_cell_volume 248.05476
_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
Dy1 Dy 0.28813 0.28813 0.24131 1.00000
Dy2 Dy 0.71187 0.71187 0.75869 1.00000
Dy3 Dy 0.00000 0.00000 0.50000 1.00000
Si1 Si 0.00000 0.00000 0.00000 1.00000
Si2 Si 0.66896 0.66896 0.16343 1.00000
Si3 Si 0.33104 0.33104 0.83657 1.00000
Pt1 Pt 0.11850 0.11850 0.67187 1.00000
Pt2 Pt 0.88150 0.88150 0.32813 1.00000
Pt3 Pt 0.85763 0.85763 0.93818 1.00000
Pt4 Pt 0.14237 0.14237 0.06182 1.00000
Pt5 Pt 0.50863 0.50863 0.16602 1.00000
Pt6 Pt 0.49137 0.49137 0.83398 1.00000
Pt7 Pt 0.34933 0.34933 0.54585 1.00000
Pt8 Pt 0.65067 0.65067 0.45415 1.00000
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