VFeMoO7
Alexandria ALEXAlex-ID: agm005256871 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABCD7_36_spg2
Fe2(MoO4)3 V4Fe2O13 MoO3
2023-05-08 14:07:37.298364
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005256871).
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 agm005256871
data_agm005256871
_cell_length_a 5.64749
_cell_length_b 6.81084
_cell_length_c 8.05473
_cell_angle_alpha 96.20429
_cell_angle_beta 90.26447
_cell_angle_gamma 100.94823
_cell_volume 302.29716
_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
V1 V 0.69094 0.75988 0.33561 1.00000
V2 V 0.30906 0.24012 0.66439 1.00000
Fe1 Fe 0.17284 0.69247 0.59577 1.00000
Fe2 Fe 0.82716 0.30753 0.40423 1.00000
Mo1 Mo 0.70305 0.78587 0.89179 1.00000
Mo2 Mo 0.29695 0.21413 0.10821 1.00000
O1 O 0.76988 0.04518 0.90121 1.00000
O2 O 0.23012 0.95482 0.09879 1.00000
O3 O 0.43081 0.69997 0.76726 1.00000
O4 O 0.56919 0.30003 0.23274 1.00000
O5 O 0.93750 0.68797 0.78293 1.00000
O6 O 0.06250 0.31203 0.21707 1.00000
O7 O 0.20484 0.99128 0.61376 1.00000
O8 O 0.79516 0.00872 0.38624 1.00000
O9 O 0.11008 0.37658 0.57421 1.00000
O10 O 0.88992 0.62342 0.42579 1.00000
O11 O 0.41319 0.69754 0.41597 1.00000
O12 O 0.66896 0.70446 0.10875 1.00000
O13 O 0.58681 0.30246 0.58403 1.00000
O14 O 0.33104 0.29554 0.89125 1.00000
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