K2DyP2S7
Alexandria ALEXAlex-ID: agm011534441 · 空间群: P2_1/c (#14)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2D7_60_spg14
K2DyP2S7
2025-01-29 06:39:15
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011534441).
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 agm011534441
data_agm011534441
_cell_length_a 9.23885
_cell_length_b 6.77988
_cell_length_c 21.81972
_cell_angle_alpha 90.00000
_cell_angle_beta 110.48744
_cell_angle_gamma 90.00000
_cell_volume 1280.30224
_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
K1 K 0.16801 0.97210 0.31849 1.00000
K2 K 0.83199 0.47210 0.18151 1.00000
K3 K 0.83199 0.02790 0.68151 1.00000
K4 K 0.16801 0.52790 0.81849 1.00000
K5 K 0.24118 0.49601 0.49415 1.00000
K6 K 0.75882 0.99601 0.00585 1.00000
K7 K 0.75882 0.50399 0.50585 1.00000
K8 K 0.24118 0.00399 0.99415 1.00000
Dy1 Dy 0.65819 0.03363 0.34130 1.00000
Dy2 Dy 0.34181 0.53363 0.15870 1.00000
Dy3 Dy 0.34181 0.96637 0.65870 1.00000
Dy4 Dy 0.65819 0.46637 0.84130 1.00000
P1 P 0.44339 0.49202 0.32851 1.00000
P2 P 0.55661 0.99202 0.17149 1.00000
P3 P 0.55661 0.50798 0.67149 1.00000
P4 P 0.44339 0.00798 0.82851 1.00000
P5 P 0.02543 0.00268 0.45329 1.00000
P6 P 0.97457 0.50268 0.04671 1.00000
P7 P 0.97457 0.99732 0.54671 1.00000
P8 P 0.02543 0.49732 0.95329 1.00000
S1 S 0.74487 0.01052 0.52030 1.00000
S2 S 0.25513 0.51052 0.97970 1.00000
S3 S 0.25513 0.98948 0.47970 1.00000
S4 S 0.74487 0.48948 0.02030 1.00000
S5 S 0.58724 0.42962 0.27673 1.00000
S6 S 0.41276 0.92962 0.22327 1.00000
S7 S 0.41276 0.57038 0.72327 1.00000
S8 S 0.58724 0.07038 0.77673 1.00000
S9 S 0.77658 0.01331 0.23964 1.00000
S10 S 0.22342 0.51331 0.26036 1.00000
S11 S 0.22342 0.98669 0.76036 1.00000
S12 S 0.77658 0.48669 0.73964 1.00000
S13 S 0.49886 0.73941 0.38577 1.00000
S14 S 0.50114 0.23941 0.11423 1.00000
S15 S 0.50114 0.26059 0.61423 1.00000
S16 S 0.49886 0.76059 0.88577 1.00000
S17 S 0.92385 0.25565 0.40577 1.00000
S18 S 0.07615 0.75565 0.09423 1.00000
S19 S 0.07615 0.74435 0.59423 1.00000
S20 S 0.92385 0.24435 0.90577 1.00000
S21 S 0.90736 0.77151 0.39838 1.00000
S22 S 0.09264 0.27151 0.10162 1.00000
S23 S 0.09264 0.22849 0.60162 1.00000
S24 S 0.90736 0.72849 0.89838 1.00000
S25 S 0.46481 0.25797 0.39022 1.00000
S26 S 0.53519 0.75797 0.10978 1.00000
S27 S 0.53519 0.74203 0.60978 1.00000
S28 S 0.46481 0.24203 0.89022 1.00000
