SbP2O7
Alexandria ALEXAlex-ID: agm005270328 · 空间群: P2_1/c (#14)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C7_138_spg14
SbP2O7
2023-04-17 02:27:16.019385
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005270328).
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 agm005270328
data_agm005270328
_cell_length_a 8.60333
_cell_length_b 7.31977
_cell_length_c 9.19876
_cell_angle_alpha 66.07719
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 529.52072
_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
Sb1 Sb 0.90894 0.74744 0.62551 1.00000
Sb2 Sb 0.59106 0.74744 0.12551 1.00000
Sb3 Sb 0.40894 0.25256 0.87449 1.00000
Sb4 Sb 0.09106 0.25256 0.37449 1.00000
P1 P 0.23311 0.93970 0.74563 1.00000
P2 P 0.26689 0.93970 0.24563 1.00000
P3 P 0.76519 0.44656 0.97438 1.00000
P4 P 0.26519 0.55344 0.52562 1.00000
P5 P 0.73481 0.44656 0.47438 1.00000
P6 P 0.23481 0.55344 0.02562 1.00000
P7 P 0.73311 0.06030 0.75437 1.00000
P8 P 0.76689 0.06030 0.25437 1.00000
O1 O 0.08932 0.98498 0.61966 1.00000
O2 O 0.73195 0.88319 0.70173 1.00000
O3 O 0.37897 0.88629 0.68944 1.00000
O4 O 0.15883 0.75237 0.89654 1.00000
O5 O 0.41068 0.98498 0.11966 1.00000
O6 O 0.76805 0.88319 0.20173 1.00000
O7 O 0.12103 0.88629 0.18944 1.00000
O8 O 0.34117 0.75237 0.39654 1.00000
O9 O 0.89489 0.51621 0.84740 1.00000
O10 O 0.60889 0.40790 0.91501 1.00000
O11 O 0.74744 0.59900 0.55158 1.00000
O12 O 0.24744 0.40100 0.94842 1.00000
O13 O 0.10889 0.59210 0.58499 1.00000
O14 O 0.39489 0.48379 0.65260 1.00000
O15 O 0.60511 0.51621 0.34740 1.00000
O16 O 0.89111 0.40790 0.41501 1.00000
O17 O 0.75256 0.59900 0.05158 1.00000
O18 O 0.25256 0.40100 0.44842 1.00000
O19 O 0.39111 0.59210 0.08499 1.00000
O20 O 0.10511 0.48379 0.15260 1.00000
O21 O 0.65883 0.24763 0.60346 1.00000
O22 O 0.87897 0.11371 0.81056 1.00000
O23 O 0.23195 0.11681 0.79827 1.00000
O24 O 0.58932 0.01502 0.88034 1.00000
O25 O 0.84117 0.24763 0.10346 1.00000
O26 O 0.62103 0.11371 0.31056 1.00000
O27 O 0.26805 0.11681 0.29827 1.00000
O28 O 0.91068 0.01502 0.38034 1.00000
