DyS18
Alexandria ALEXAlex-ID: agm066640539 · 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
AB18_33_spg1
DyS18
2025-02-12 03:40:28.179343
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm066640539).
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 agm066640539
data_agm066640539
_cell_length_a 6.12345
_cell_length_b 10.31041
_cell_length_c 10.14747
_cell_angle_alpha 79.79288
_cell_angle_beta 97.69296
_cell_angle_gamma 103.49240
_cell_volume 610.25039
_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 0.98377 0.94845 0.95163 1.00000
S1 S 0.53999 0.84807 0.63631 1.00000
S2 S 0.28440 0.57894 0.73853 1.00000
S3 S 0.35826 0.15197 0.85945 1.00000
S4 S 0.47886 0.33128 0.50403 1.00000
S5 S 0.68857 0.34630 0.23197 1.00000
S6 S 0.63496 0.80559 0.12250 1.00000
S7 S 0.58698 0.56046 0.82818 1.00000
S8 S 0.69103 0.12873 0.81845 1.00000
S9 S 0.70148 0.45827 0.38769 1.00000
S10 S 0.35084 0.36423 0.18089 1.00000
S11 S 0.30581 0.84472 0.14904 1.00000
S12 S 0.37528 0.68178 0.54794 1.00000
S13 S 0.20938 0.25928 0.34599 1.00000
S14 S 0.87116 0.93882 0.21319 1.00000
S15 S 0.91449 0.20595 0.96220 1.00000
S16 S 0.79183 0.77293 0.75768 1.00000
S17 S 0.14699 0.06958 0.71098 1.00000
S18 S 0.08592 0.70464 0.05335 1.00000
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