Dy6P2CS3
Alexandria ALEXAlex-ID: agm004609727 · 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
AB2C3D6_28_spg12
Dy3P2S Dy3CS2
2022-06-26 19:23:40.747196
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004609727).
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}
}
晶体结构 3D 渲染
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm004609727
data_agm004609727
_cell_length_a 3.87474
_cell_length_b 7.87164
_cell_length_c 8.75748
_cell_angle_alpha 103.28709
_cell_angle_beta 102.78098
_cell_angle_gamma 90.00000
_cell_volume 253.15265
_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 0.34824 0.92170 0.69648 1.00000
Dy2 Dy 0.66625 0.57951 0.33250 1.00000
Dy3 Dy 0.65176 0.07830 0.30352 1.00000
Dy4 Dy 0.00050 0.21891 0.00099 1.00000
Dy5 Dy 0.99950 0.78109 0.99901 1.00000
Dy6 Dy 0.33375 0.42049 0.66750 1.00000
P1 P 0.83375 0.66783 0.66751 1.00000
P2 P 0.16625 0.33217 0.33249 1.00000
C1 C 0.50000 0.00000 0.00000 1.00000
S1 S 0.50000 0.50000 0.00000 1.00000
S2 S 0.83151 0.16512 0.66301 1.00000
S3 S 0.16849 0.83488 0.33699 1.00000
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