K2ZnP4H8O15
Alexandria ALEXAlex-ID: agm005246277 · 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
AB2C4D8E15_0_spg12
KP(HO2)2 KP2H5O8 KZn2P2HO8 ZnP2 H2O
2023-05-14 02:50:29.663055
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005246277).
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 agm005246277
data_agm005246277
_cell_length_a 7.62535
_cell_length_b 7.62535
_cell_length_c 6.66699
_cell_angle_alpha 81.32287
_cell_angle_beta 81.32287
_cell_angle_gamma 105.09521
_cell_volume 362.58022
_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 0.70714 0.70714 0.91644 1.00000
K2 K 0.29286 0.29286 0.08356 1.00000
Zn1 Zn 0.50000 0.50000 0.50000 1.00000
P1 P 0.26880 0.75519 0.32861 1.00000
P2 P 0.75519 0.26880 0.32861 1.00000
P3 P 0.73120 0.24481 0.67139 1.00000
P4 P 0.24481 0.73120 0.67139 1.00000
H1 H 0.50695 0.00923 0.24050 1.00000
H2 H 0.00923 0.50695 0.24050 1.00000
H3 H 0.49305 0.99077 0.75950 1.00000
H4 H 0.99077 0.49305 0.75950 1.00000
H5 H 0.13349 0.26517 0.60772 1.00000
H6 H 0.26517 0.13349 0.60772 1.00000
H7 H 0.86651 0.73483 0.39228 1.00000
H8 H 0.73483 0.86651 0.39228 1.00000
O1 O 0.07594 0.70586 0.27592 1.00000
O2 O 0.70586 0.07594 0.27592 1.00000
O3 O 0.92406 0.29414 0.72408 1.00000
O4 O 0.29414 0.92406 0.72408 1.00000
O5 O 0.38977 0.63185 0.26882 1.00000
O6 O 0.63185 0.38977 0.26882 1.00000
O7 O 0.61023 0.36815 0.73118 1.00000
O8 O 0.36815 0.61023 0.73118 1.00000
O9 O 0.36974 0.96612 0.22637 1.00000
O10 O 0.96612 0.36974 0.22637 1.00000
O11 O 0.63026 0.03388 0.77363 1.00000
O12 O 0.03388 0.63026 0.77363 1.00000
O13 O 0.25645 0.25645 0.54276 1.00000
O14 O 0.74355 0.74355 0.45724 1.00000
O15 O 0.00000 0.00000 0.00000 1.00000
