Sr2La2V3FeO12
Alexandria ALEXAlex-ID: agm010761199 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2D3E12_2_spg115
La3FeO6 Sr9LaV7O28 LaVO3 Fe FeO
2024-05-15 00:59:08.996014
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010761199).
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}
}
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# CIF generated by HEAS from Alexandria entry agm010761199
data_agm010761199
_cell_length_a 5.60556
_cell_length_b 5.63033
_cell_length_c 7.79583
_cell_angle_alpha 89.81005
_cell_angle_beta 90.00122
_cell_angle_gamma 90.03407
_cell_volume 246.04388
_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 0.49507 0.47801 0.24780 1.00000
Sr2 Sr 0.99745 0.02129 0.75195 1.00000
La1 La 0.01068 0.97014 0.24819 1.00000
La2 La 0.51116 0.53039 0.75105 1.00000
V1 V 0.49822 0.00142 0.50001 1.00000
V2 V 0.99778 0.49845 0.49995 1.00000
V3 V 0.50150 0.00193 0.99957 1.00000
Fe1 Fe 0.00078 0.49717 0.99977 1.00000
O1 O 0.21744 0.21872 0.03668 1.00000
O2 O 0.27647 0.72389 0.46728 1.00000
O3 O 0.77815 0.77455 0.53285 1.00000
O4 O 0.71727 0.28172 0.96368 1.00000
O5 O 0.76773 0.76940 0.96946 1.00000
O6 O 0.71478 0.28915 0.53658 1.00000
O7 O 0.21265 0.21207 0.46387 1.00000
O8 O 0.26782 0.73080 0.03084 1.00000
O9 O 0.56963 0.00898 0.26303 1.00000
O10 O 0.94634 0.51176 0.26133 1.00000
O11 O 0.44778 0.98975 0.73723 1.00000
O12 O 0.07131 0.49041 0.73889 1.00000
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