K4V3In(P2O7)4
Alexandria ALEXAlex-ID: agm011022166 · 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
AB3C4D8E28_3_spg1
KInP2O7 KVP2O7
2025-02-21 07:08:19
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011022166).
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 agm011022166
data_agm011022166
_cell_length_a 7.73833
_cell_length_b 8.30144
_cell_length_c 9.88926
_cell_angle_alpha 90.07738
_cell_angle_beta 112.52599
_cell_angle_gamma 90.12952
_cell_volume 586.80790
_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 0.28726 0.52709 0.30572 1.00000
K2 K 0.71606 0.03133 0.19627 1.00000
K3 K 0.70989 0.47301 0.69212 1.00000
K4 K 0.28596 0.97217 0.80617 1.00000
V1 V 0.25809 0.51040 0.74954 1.00000
V2 V 0.25820 0.98882 0.24837 1.00000
V3 V 0.74371 0.49031 0.25043 1.00000
In1 In 0.73898 0.01016 0.74965 1.00000
P1 P 0.33030 0.28883 0.04651 1.00000
P2 P 0.67066 0.78595 0.44860 1.00000
P3 P 0.67319 0.70744 0.95551 1.00000
P4 P 0.32092 0.21200 0.54404 1.00000
P5 P 0.94850 0.25149 0.05068 1.00000
P6 P 0.05821 0.74817 0.45357 1.00000
P7 P 0.06147 0.74816 0.95563 1.00000
P8 P 0.94026 0.25762 0.54446 1.00000
O1 O 0.13630 0.34897 0.05964 1.00000
O2 O 0.87019 0.84695 0.44469 1.00000
O3 O 0.87006 0.65203 0.94414 1.00000
O4 O 0.12177 0.15472 0.55054 1.00000
O5 O 0.31136 0.31095 0.88730 1.00000
O6 O 0.68169 0.79942 0.60596 1.00000
O7 O 0.68956 0.68513 0.11342 1.00000
O8 O 0.31136 0.18799 0.38761 1.00000
O9 O 0.35191 0.11106 0.09368 1.00000
O10 O 0.64658 0.60983 0.39729 1.00000
O11 O 0.64616 0.88625 0.91183 1.00000
O12 O 0.34569 0.38986 0.59121 1.00000
O13 O 0.01225 0.09354 0.13726 1.00000
O14 O 0.99096 0.59501 0.36085 1.00000
O15 O 0.00043 0.90126 0.86386 1.00000
O16 O 0.00974 0.40884 0.63958 1.00000
O17 O 0.82929 0.22033 0.88915 1.00000
O18 O 0.17197 0.70764 0.61513 1.00000
O19 O 0.17292 0.78907 0.11745 1.00000
O20 O 0.82586 0.29789 0.38409 1.00000
O21 O 0.85116 0.36304 0.11942 1.00000
O22 O 0.16236 0.86223 0.39189 1.00000
O23 O 0.16535 0.63292 0.89515 1.00000
O24 O 0.83135 0.14582 0.60359 1.00000
O25 O 0.48120 0.39744 0.15328 1.00000
O26 O 0.52407 0.89901 0.34349 1.00000
O27 O 0.52462 0.59849 0.84632 1.00000
O28 O 0.46214 0.10138 0.65491 1.00000
