Sr10AlNi4(WO6)5
Alexandria ALEXAlex-ID: agm011094656 · 空间群: I4/m (#87)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C5D10E30_0_spg2
Sr2NiWO6 Sr7W4O19 Sr4Al6WO16 Ni
2024-10-25 12:28:06.103489
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011094656).
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 agm011094656
data_agm011094656
_cell_length_a 9.73287
_cell_length_b 9.73287
_cell_length_c 9.73287
_cell_angle_alpha 99.86087
_cell_angle_beta 99.86087
_cell_angle_gamma 131.10852
_cell_volume 632.40593
_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 0.25000 0.75000 0.50000 1.00000
Sr2 Sr 0.85252 0.95107 0.30342 1.00000
Sr3 Sr 0.45090 0.14748 0.09856 1.00000
Sr4 Sr 0.04893 0.35235 0.90144 1.00000
Sr5 Sr 0.64765 0.54910 0.69658 1.00000
Sr6 Sr 0.54910 0.85252 0.90144 1.00000
Sr7 Sr 0.14748 0.04893 0.69658 1.00000
Sr8 Sr 0.75000 0.25000 0.50000 1.00000
Sr9 Sr 0.35235 0.45090 0.30342 1.00000
Sr10 Sr 0.95107 0.64765 0.09856 1.00000
Al1 Al 0.50000 0.50000 0.00000 1.00000
Ni1 Ni 0.09865 0.70066 0.79931 1.00000
Ni2 Ni 0.70066 0.90135 0.60200 1.00000
Ni3 Ni 0.29934 0.09865 0.39800 1.00000
Ni4 Ni 0.90135 0.29934 0.20069 1.00000
W1 W 0.59746 0.20224 0.79970 1.00000
W2 W 0.20224 0.40254 0.60478 1.00000
W3 W 0.79776 0.59746 0.39522 1.00000
W4 W 0.40254 0.79776 0.20030 1.00000
W5 W 0.00000 0.00000 0.00000 1.00000
O1 O 0.44748 0.64581 0.60661 1.00000
O2 O 0.03920 0.84087 0.39339 1.00000
O3 O 0.64581 0.03920 0.19833 1.00000
O4 O 0.24824 0.24824 0.00000 1.00000
O5 O 0.84087 0.44748 0.80167 1.00000
O6 O 0.35419 0.96080 0.80167 1.00000
O7 O 0.96080 0.15913 0.60661 1.00000
O8 O 0.55252 0.35419 0.39339 1.00000
O9 O 0.15913 0.55252 0.19833 1.00000
O10 O 0.75176 0.75176 0.00000 1.00000
O11 O 0.02216 0.84715 0.86931 1.00000
O12 O 0.62381 0.04913 0.67294 1.00000
O13 O 0.22897 0.24933 0.47830 1.00000
O14 O 0.82362 0.44463 0.26824 1.00000
O15 O 0.43291 0.63890 0.07182 1.00000
O16 O 0.97784 0.15285 0.13069 1.00000
O17 O 0.56709 0.36110 0.92818 1.00000
O18 O 0.17638 0.55537 0.73176 1.00000
O19 O 0.77103 0.75067 0.52170 1.00000
O20 O 0.37619 0.95087 0.32706 1.00000
O21 O 0.15285 0.02216 0.17500 1.00000
O22 O 0.75067 0.22897 0.97964 1.00000
O23 O 0.36110 0.43291 0.79401 1.00000
O24 O 0.95087 0.62381 0.57467 1.00000
O25 O 0.55537 0.82362 0.37899 1.00000
O26 O 0.84715 0.97784 0.82500 1.00000
O27 O 0.44463 0.17638 0.62101 1.00000
O28 O 0.04913 0.37619 0.42533 1.00000
O29 O 0.63890 0.56709 0.20599 1.00000
O30 O 0.24933 0.77103 0.02036 1.00000
