KGa2P5O16
Alexandria ALEXAlex-ID: agm008911331 · 空间群: Pc (#7)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C5D16_2_spg7
KGa(PO3)4 GaPO4
2024-12-05 17:59:47
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008911331).
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 agm008911331
data_agm008911331
_cell_length_a 7.46611
_cell_length_b 9.35932
_cell_length_c 10.30988
_cell_angle_alpha 90.00000
_cell_angle_beta 111.43137
_cell_angle_gamma 90.00000
_cell_volume 670.61686
_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 0.06399 0.71923 0.80607 1.00000
K2 K 0.06399 0.28077 0.30607 1.00000
Ga1 Ga 0.08303 0.13562 0.87238 1.00000
Ga2 Ga 0.64410 0.35959 0.47820 1.00000
Ga3 Ga 0.08303 0.86438 0.37238 1.00000
Ga4 Ga 0.64410 0.64041 0.97820 1.00000
P1 P 0.89818 0.91714 0.03925 1.00000
P2 P 0.89818 0.08286 0.53925 1.00000
P3 P 0.39782 0.63436 0.38321 1.00000
P4 P 0.73676 0.62261 0.30846 1.00000
P5 P 0.73676 0.37739 0.80846 1.00000
P6 P 0.44143 0.20718 0.13764 1.00000
P7 P 0.39782 0.36564 0.88321 1.00000
P8 P 0.49712 0.04114 0.49835 1.00000
P9 P 0.44143 0.79282 0.63764 1.00000
P10 P 0.49712 0.95886 0.99835 1.00000
O1 O 0.52411 0.04675 0.14016 1.00000
O2 O 0.68852 0.99635 0.97042 1.00000
O3 O 0.54003 0.26942 0.27822 1.00000
O4 O 0.86886 0.24347 0.51554 1.00000
O5 O 0.49190 0.80059 0.02622 1.00000
O6 O 0.72332 0.56474 0.16692 1.00000
O7 O 0.32809 0.02230 0.88289 1.00000
O8 O 0.51874 0.28658 0.02855 1.00000
O9 O 0.78933 0.50539 0.41945 1.00000
O10 O 0.19801 0.30525 0.81683 1.00000
O11 O 0.54003 0.73058 0.77822 1.00000
O12 O 0.01375 0.96914 0.95428 1.00000
O13 O 0.49190 0.19941 0.52622 1.00000
O14 O 0.85611 0.75685 0.35734 1.00000
O15 O 0.22366 0.79282 0.57655 1.00000
O16 O 0.40219 0.47435 0.41111 1.00000
O17 O 0.97500 0.96044 0.19207 1.00000
O18 O 0.72332 0.43526 0.66692 1.00000
O19 O 0.19801 0.69475 0.31683 1.00000
O20 O 0.86886 0.75653 0.01554 1.00000
O21 O 0.78933 0.49461 0.91945 1.00000
O22 O 0.52411 0.95325 0.64016 1.00000
O23 O 0.51616 0.67309 0.28886 1.00000
O24 O 0.01375 0.03086 0.45428 1.00000
O25 O 0.32809 0.97770 0.38289 1.00000
O26 O 0.22366 0.20718 0.07655 1.00000
O27 O 0.85611 0.24315 0.85734 1.00000
O28 O 0.97500 0.03956 0.69207 1.00000
O29 O 0.40219 0.52565 0.91111 1.00000
O30 O 0.68852 0.00365 0.47042 1.00000
O31 O 0.51616 0.32691 0.78886 1.00000
O32 O 0.51874 0.71342 0.52855 1.00000
