SrVAsO6
Alexandria ALEXAlex-ID: agm019152162 · 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
ABCD6_43_spg14
Sr(AsO3)2 SrV2O6
2024-10-30 11:46:12.864961
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm019152162).
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 agm019152162
data_agm019152162
_cell_length_a 10.07648
_cell_length_b 5.70016
_cell_length_c 8.86633
_cell_angle_alpha 87.43857
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 508.75144
_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 0.80885 0.62840 0.07142 1.00000
Sr2 Sr 0.30885 0.37160 0.42858 1.00000
Sr3 Sr 0.19115 0.37160 0.92858 1.00000
Sr4 Sr 0.69115 0.62840 0.57142 1.00000
V1 V 0.90597 0.15065 0.41069 1.00000
V2 V 0.40597 0.84935 0.08931 1.00000
V3 V 0.09403 0.84935 0.58931 1.00000
V4 V 0.59403 0.15065 0.91069 1.00000
As1 As 0.10481 0.83552 0.21462 1.00000
As2 As 0.60481 0.16448 0.28538 1.00000
As3 As 0.89519 0.16448 0.78538 1.00000
As4 As 0.39519 0.83552 0.71462 1.00000
O1 O 0.06686 0.60309 0.11147 1.00000
O2 O 0.56686 0.39691 0.38853 1.00000
O3 O 0.93314 0.39691 0.88853 1.00000
O4 O 0.43314 0.60309 0.61147 1.00000
O5 O 0.92788 0.82070 0.54198 1.00000
O6 O 0.42788 0.17930 0.95802 1.00000
O7 O 0.07212 0.17930 0.45802 1.00000
O8 O 0.57212 0.82070 0.04198 1.00000
O9 O 0.85514 0.40301 0.32702 1.00000
O10 O 0.35514 0.59699 0.17298 1.00000
O11 O 0.14486 0.59699 0.67298 1.00000
O12 O 0.64486 0.40301 0.82702 1.00000
O13 O 0.66597 0.24994 0.10717 1.00000
O14 O 0.16597 0.75006 0.39283 1.00000
O15 O 0.33404 0.75006 0.89283 1.00000
O16 O 0.83403 0.24994 0.60717 1.00000
O17 O 0.54840 0.97449 0.73071 1.00000
O18 O 0.04840 0.02551 0.76929 1.00000
O19 O 0.45160 0.02551 0.26929 1.00000
O20 O 0.95160 0.97449 0.23071 1.00000
O21 O 0.78010 0.97823 0.87263 1.00000
O22 O 0.28010 0.02177 0.62737 1.00000
O23 O 0.21990 0.02177 0.12737 1.00000
O24 O 0.71990 0.97823 0.37263 1.00000
