KP11
Alexandria ALEXAlex-ID: agm007865720 · 空间群: P2_1/m (#11)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB11_4_spg11
KP15 KP7
2024-09-13 12:43:09.159075
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007865720).
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 agm007865720
data_agm007865720
_cell_length_a 9.75927
_cell_length_b 6.77754
_cell_length_c 18.50417
_cell_angle_alpha 87.55101
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 1222.81902
_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 0.47792 0.08263 0.83310 1.00000
K2 K 0.52208 0.91737 0.16690 1.00000
K3 K 0.97792 0.91737 0.16690 1.00000
K4 K 0.02208 0.08263 0.83310 1.00000
P1 P 0.40398 0.14261 0.40161 1.00000
P2 P 0.59602 0.85739 0.59839 1.00000
P3 P 0.90398 0.85739 0.59839 1.00000
P4 P 0.09602 0.14261 0.40161 1.00000
P5 P 0.75000 0.18877 0.26741 1.00000
P6 P 0.25000 0.81123 0.73259 1.00000
P7 P 0.91008 0.30509 0.43077 1.00000
P8 P 0.08992 0.69491 0.56923 1.00000
P9 P 0.41008 0.69491 0.56923 1.00000
P10 P 0.58992 0.30509 0.43077 1.00000
P11 P 0.75000 0.26117 0.04473 1.00000
P12 P 0.25000 0.73883 0.95527 1.00000
P13 P 0.75000 0.66198 0.55066 1.00000
P14 P 0.25000 0.33802 0.44934 1.00000
P15 P 0.36774 0.21808 0.28440 1.00000
P16 P 0.63226 0.78192 0.71560 1.00000
P17 P 0.86774 0.78192 0.71560 1.00000
P18 P 0.13226 0.21808 0.28440 1.00000
P19 P 0.75000 0.24259 0.92824 1.00000
P20 P 0.25000 0.75741 0.07176 1.00000
P21 P 0.75000 0.11477 0.38224 1.00000
P22 P 0.25000 0.88523 0.61776 1.00000
P23 P 0.91092 0.47958 0.07186 1.00000
P24 P 0.08908 0.52042 0.92814 1.00000
P25 P 0.41092 0.52042 0.92814 1.00000
P26 P 0.58908 0.47958 0.07186 1.00000
P27 P 0.75000 0.50714 0.27424 1.00000
P28 P 0.25000 0.49286 0.72576 1.00000
P29 P 0.75000 0.38411 0.62835 1.00000
P30 P 0.25000 0.61589 0.37165 1.00000
P31 P 0.40463 0.54360 0.28985 1.00000
P32 P 0.59537 0.45640 0.71015 1.00000
P33 P 0.90463 0.45640 0.71015 1.00000
P34 P 0.09537 0.54360 0.28985 1.00000
P35 P 0.41142 0.31461 0.02857 1.00000
P36 P 0.58858 0.68539 0.97143 1.00000
P37 P 0.91142 0.68539 0.97143 1.00000
P38 P 0.08858 0.31461 0.02857 1.00000
P39 P 0.91044 0.57733 0.35598 1.00000
P40 P 0.08956 0.42267 0.64402 1.00000
P41 P 0.41044 0.42267 0.64402 1.00000
P42 P 0.58956 0.57733 0.35598 1.00000
P43 P 0.75000 0.55675 0.90306 1.00000
P44 P 0.25000 0.44325 0.09694 1.00000
