SrVH2I4O15
Alexandria ALEXAlex-ID: agm006316635 · 空间群: P2_1 (#4)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D4E15_2_spg4
SrVI5O16 SrO12 Sr(IO3)2 V2O5 H2O
2024-12-12 15:32:03
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006316635).
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 agm006316635
data_agm006316635
_cell_length_a 7.37351
_cell_length_b 14.56206
_cell_length_c 7.24591
_cell_angle_alpha 90.00000
_cell_angle_beta 113.08698
_cell_angle_gamma 90.00000
_cell_volume 715.70719
_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 0.04819 0.25132 0.44696 1.00000
Sr2 Sr 0.95181 0.75132 0.55304 1.00000
V1 V 0.56446 0.42718 0.78701 1.00000
V2 V 0.43554 0.92718 0.21299 1.00000
H1 H 0.89299 0.05874 0.71550 1.00000
H2 H 0.10701 0.55874 0.28450 1.00000
H3 H 0.67869 0.03095 0.59335 1.00000
H4 H 0.32131 0.53095 0.40665 1.00000
I1 I 0.14382 0.38489 0.98730 1.00000
I2 I 0.85618 0.88489 0.01270 1.00000
I3 I 0.74644 0.50745 0.27896 1.00000
I4 I 0.25356 0.00745 0.72104 1.00000
I5 I 0.45576 0.16089 0.26510 1.00000
I6 I 0.54424 0.66089 0.73490 1.00000
I7 I 0.72081 0.20235 0.87596 1.00000
I8 I 0.27919 0.70235 0.12404 1.00000
O1 O 0.23986 0.31809 0.21859 1.00000
O2 O 0.76014 0.81809 0.78141 1.00000
O3 O 0.05772 0.29348 0.80302 1.00000
O4 O 0.94228 0.79348 0.19698 1.00000
O5 O 0.38340 0.41592 0.97484 1.00000
O6 O 0.61660 0.91592 0.02516 1.00000
O7 O 0.91095 0.41248 0.37808 1.00000
O8 O 0.08905 0.91248 0.62192 1.00000
O9 O 0.73795 0.50415 0.01484 1.00000
O10 O 0.26205 0.00415 0.98516 1.00000
O11 O 0.07364 0.09968 0.64254 1.00000
O12 O 0.92636 0.59968 0.35746 1.00000
O13 O 0.68003 0.22416 0.39302 1.00000
O14 O 0.31997 0.72416 0.60698 1.00000
O15 O 0.57866 0.04303 0.31473 1.00000
O16 O 0.42134 0.54303 0.68527 1.00000
O17 O 0.36109 0.15406 0.46343 1.00000
O18 O 0.63891 0.65406 0.53657 1.00000
O19 O 0.50924 0.15843 0.91982 1.00000
O20 O 0.49076 0.65843 0.08018 1.00000
O21 O 0.72163 0.32639 0.96232 1.00000
O22 O 0.27837 0.82639 0.03768 1.00000
O23 O 0.92165 0.16597 0.10197 1.00000
O24 O 0.07835 0.66597 0.89803 1.00000
O25 O 0.36142 0.35643 0.65001 1.00000
O26 O 0.63858 0.85643 0.34999 1.00000
O27 O 0.67699 0.42799 0.63061 1.00000
O28 O 0.32301 0.92799 0.36939 1.00000
O29 O 0.77046 0.04047 0.73496 1.00000
O30 O 0.22954 0.54047 0.26504 1.00000
