K2SrV2O7
Alexandria ALEXAlex-ID: agm011517536 · 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
AB2C2D7_44_spg14
KVO3 KSrVO4
2025-02-26 11:36:17
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011517536).
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 agm011517536
data_agm011517536
_cell_length_a 10.39043
_cell_length_b 6.05644
_cell_length_c 15.51947
_cell_angle_alpha 90.00000
_cell_angle_beta 116.22620
_cell_angle_gamma 90.00000
_cell_volume 876.08723
_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 0.96963 0.23499 0.31275 1.00000
K2 K 0.51464 0.24421 0.62883 1.00000
K3 K 0.03037 0.76501 0.68725 1.00000
K4 K 0.03037 0.73499 0.18725 1.00000
K5 K 0.96963 0.26501 0.81275 1.00000
K6 K 0.48536 0.75579 0.37117 1.00000
K7 K 0.48536 0.74421 0.87117 1.00000
K8 K 0.51464 0.25579 0.12883 1.00000
Sr1 Sr 0.22536 0.77051 0.47729 1.00000
Sr2 Sr 0.22536 0.72949 0.97729 1.00000
Sr3 Sr 0.77464 0.27051 0.02271 1.00000
Sr4 Sr 0.77464 0.22949 0.52271 1.00000
V1 V 0.33102 0.24414 0.85038 1.00000
V2 V 0.18716 0.29255 0.62463 1.00000
V3 V 0.81284 0.70745 0.37537 1.00000
V4 V 0.66898 0.75586 0.14962 1.00000
V5 V 0.18716 0.20745 0.12463 1.00000
V6 V 0.33102 0.25586 0.35038 1.00000
V7 V 0.66898 0.74414 0.64962 1.00000
V8 V 0.81284 0.79255 0.87537 1.00000
O1 O 0.65351 0.78004 0.26313 1.00000
O2 O 0.24128 0.01709 0.86303 1.00000
O3 O 0.96542 0.78021 0.36481 1.00000
O4 O 0.03458 0.28021 0.13519 1.00000
O5 O 0.20786 0.15023 0.53623 1.00000
O6 O 0.03458 0.21979 0.63519 1.00000
O7 O 0.24227 0.48570 0.84748 1.00000
O8 O 0.18994 0.57134 0.60525 1.00000
O9 O 0.79214 0.84977 0.46377 1.00000
O10 O 0.24128 0.48291 0.36303 1.00000
O11 O 0.75773 0.51430 0.15252 1.00000
O12 O 0.75773 0.98570 0.65252 1.00000
O13 O 0.75872 0.98291 0.13697 1.00000
O14 O 0.81006 0.07134 0.89475 1.00000
O15 O 0.18994 0.92866 0.10525 1.00000
O16 O 0.20786 0.34977 0.03623 1.00000
O17 O 0.75872 0.51709 0.63697 1.00000
O18 O 0.49600 0.74577 0.06031 1.00000
O19 O 0.50400 0.25423 0.93969 1.00000
O20 O 0.34649 0.21996 0.73687 1.00000
O21 O 0.79214 0.65023 0.96377 1.00000
O22 O 0.50400 0.24577 0.43969 1.00000
O23 O 0.24227 0.01430 0.34748 1.00000
O24 O 0.96542 0.71979 0.86481 1.00000
O25 O 0.65351 0.71996 0.76313 1.00000
O26 O 0.34649 0.28004 0.23687 1.00000
O27 O 0.49600 0.75423 0.56031 1.00000
O28 O 0.81006 0.42866 0.39475 1.00000
