Sr(WO3)6
Alexandria ALEXAlex-ID: agm008291678 · 空间群: C2 (#5)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB6C18_13_spg12
Sr(WO3)11 SrWO4 WO2
2025-01-30 10:30:50
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008291678).
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 agm008291678
data_agm008291678
_cell_length_a 10.93826
_cell_length_b 10.93826
_cell_length_c 8.89493
_cell_angle_alpha 89.87081
_cell_angle_beta 90.12919
_cell_angle_gamma 138.68778
_cell_volume 702.56755
_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
Sr1 Sr 0.10725 0.89219 0.90522 1.00000
Sr2 Sr 0.89219 0.10725 0.09478 1.00000
W1 W 0.03338 0.46626 0.79560 1.00000
W2 W 0.22023 0.28624 0.79251 1.00000
W3 W 0.53254 0.96702 0.79685 1.00000
W4 W 0.71535 0.78079 0.79140 1.00000
W5 W 0.37763 0.12576 0.57214 1.00000
W6 W 0.87497 0.62124 0.57111 1.00000
W7 W 0.62124 0.87497 0.42889 1.00000
W8 W 0.12576 0.37763 0.42786 1.00000
W9 W 0.28624 0.22023 0.20749 1.00000
W10 W 0.96702 0.53254 0.20315 1.00000
W11 W 0.46626 0.03338 0.20440 1.00000
W12 W 0.78079 0.71535 0.20860 1.00000
O1 O 0.09607 0.35031 0.86699 1.00000
O2 O 0.65183 0.90130 0.86197 1.00000
O3 O 0.77426 0.22459 0.79469 1.00000
O4 O 0.29193 0.70846 0.80118 1.00000
O5 O 0.47266 0.54217 0.82384 1.00000
O6 O 0.96811 0.02415 0.77504 1.00000
O7 O 0.31746 0.19488 0.72718 1.00000
O8 O 0.80287 0.68422 0.72663 1.00000
O9 O 0.97025 0.58609 0.72796 1.00000
O10 O 0.41473 0.02878 0.72764 1.00000
O11 O 0.21012 0.33435 0.58979 1.00000
O12 O 0.11714 0.88149 0.56893 1.00000
O13 O 0.63460 0.36579 0.58101 1.00000
O14 O 0.05403 0.43338 0.58916 1.00000
O15 O 0.56706 0.94514 0.58924 1.00000
O16 O 0.66466 0.78782 0.58965 1.00000
O17 O 0.36579 0.63460 0.41899 1.00000
O18 O 0.88149 0.11714 0.43107 1.00000
O19 O 0.78782 0.66466 0.41035 1.00000
O20 O 0.94514 0.56706 0.41076 1.00000
O21 O 0.33435 0.21012 0.41021 1.00000
O22 O 0.43338 0.05403 0.41084 1.00000
O23 O 0.02878 0.41473 0.27236 1.00000
O24 O 0.19488 0.31746 0.27282 1.00000
O25 O 0.58609 0.97025 0.27204 1.00000
O26 O 0.68422 0.80287 0.27337 1.00000
O27 O 0.70846 0.29193 0.19882 1.00000
O28 O 0.02415 0.96811 0.22496 1.00000
O29 O 0.54217 0.47266 0.17616 1.00000
O30 O 0.22459 0.77426 0.20531 1.00000
O31 O 0.35031 0.09607 0.13301 1.00000
O32 O 0.90130 0.65183 0.13803 1.00000
O33 O 0.99872 0.50168 0.99920 1.00000
O34 O 0.78874 0.78874 0.00000 1.00000
O35 O 0.50168 0.99872 0.00080 1.00000
O36 O 0.21781 0.21781 0.00000 1.00000
