K14(Cd3P7)3
Alexandria ALEXAlex-ID: agm006233302 · 空间群: Amm2 (#38)
基础信息
组成
能量与稳定性
电子结构
其他信息
A9B14C21_2_spg38
KCdP K3P7 Cd
2024-10-21 11:31:39
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006233302).
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 agm006233302
data_agm006233302
_cell_length_a 8.82413
_cell_length_b 8.82413
_cell_length_c 17.24975
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 102.16784
_cell_volume 1312.98080
_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
Cd1 Cd 0.78747 0.13870 0.00000 1.00000
Cd2 Cd 0.90176 0.51377 0.00000 1.00000
Cd3 Cd 0.57408 0.36421 0.00000 1.00000
Cd4 Cd 0.13870 0.78747 0.00000 1.00000
Cd5 Cd 0.51377 0.90176 0.00000 1.00000
Cd6 Cd 0.36421 0.57408 0.00000 1.00000
Cd7 Cd 0.31052 0.10733 0.00000 1.00000
Cd8 Cd 0.10733 0.31052 0.00000 1.00000
Cd9 Cd 0.77868 0.77868 0.00000 1.00000
K1 K 0.30728 0.95456 0.67967 1.00000
K2 K 0.95456 0.30728 0.67967 1.00000
K3 K 0.59367 0.59367 0.64807 1.00000
K4 K 0.30728 0.95456 0.32033 1.00000
K5 K 0.95456 0.30728 0.32033 1.00000
K6 K 0.59367 0.59367 0.35193 1.00000
K7 K 0.68104 0.99102 0.19231 1.00000
K8 K 0.99102 0.68104 0.19231 1.00000
K9 K 0.28958 0.28958 0.17628 1.00000
K10 K 0.68104 0.99102 0.80769 1.00000
K11 K 0.99102 0.68104 0.80769 1.00000
K12 K 0.28958 0.28958 0.82372 1.00000
K13 K 0.28139 0.76941 0.50000 1.00000
K14 K 0.76941 0.28139 0.50000 1.00000
P1 P 0.33590 0.85552 0.13158 1.00000
P2 P 0.85552 0.33590 0.13158 1.00000
P3 P 0.60703 0.60703 0.14477 1.00000
P4 P 0.33590 0.85552 0.86842 1.00000
P5 P 0.85552 0.33590 0.86842 1.00000
P6 P 0.60703 0.60703 0.85523 1.00000
P7 P 0.39879 0.17636 0.50000 1.00000
P8 P 0.17636 0.39879 0.50000 1.00000
P9 P 0.79798 0.79798 0.50000 1.00000
P10 P 0.90277 0.90277 0.33031 1.00000
P11 P 0.90277 0.90277 0.66969 1.00000
P12 P 0.96672 0.72287 0.39815 1.00000
P13 P 0.29034 0.29034 0.41138 1.00000
P14 P 0.72287 0.96672 0.39815 1.00000
P15 P 0.96672 0.72287 0.60185 1.00000
P16 P 0.29034 0.29034 0.58862 1.00000
P17 P 0.72287 0.96672 0.60185 1.00000
P18 P 0.65809 0.39338 0.19642 1.00000
P19 P 0.65809 0.39338 0.80358 1.00000
P20 P 0.39338 0.65809 0.80358 1.00000
P21 P 0.39338 0.65809 0.19642 1.00000
