Sr2Sm2V3NiO12
Alexandria ALEXAlex-ID: agm010806052 · 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
Sm2VO5 SmVO4 Sr9SmV7O28 SmVO3 Ni
2024-06-24 11:36:56.516248
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010806052).
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
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# CIF generated by HEAS from Alexandria entry agm010806052
data_agm010806052
_cell_length_a 5.52262
_cell_length_b 5.63353
_cell_length_c 7.69109
_cell_angle_alpha 89.81640
_cell_angle_beta 89.71035
_cell_angle_gamma 89.19351
_cell_volume 239.25571
_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 0.49201 0.52850 0.75424 1.00000
Sr2 Sr 0.99546 0.96790 0.24452 1.00000
Sm1 Sm 0.01583 0.05276 0.75644 1.00000
Sm2 Sm 0.51773 0.44778 0.24799 1.00000
V1 V 0.49418 0.99579 0.50073 1.00000
V2 V 0.99456 0.50244 0.49929 1.00000
V3 V 0.50143 0.99568 0.99846 1.00000
Ni1 Ni 0.00213 0.50633 0.00097 1.00000
O1 O 0.20867 0.80087 0.95343 1.00000
O2 O 0.28052 0.27114 0.54121 1.00000
O3 O 0.77533 0.22635 0.45964 1.00000
O4 O 0.68871 0.72228 0.04455 1.00000
O5 O 0.76703 0.22137 0.03234 1.00000
O6 O 0.70256 0.70345 0.45323 1.00000
O7 O 0.20675 0.79944 0.54498 1.00000
O8 O 0.28667 0.26027 0.96646 1.00000
O9 O 0.59153 0.98256 0.74117 1.00000
O10 O 0.94383 0.48119 0.73659 1.00000
O11 O 0.44079 0.02295 0.25909 1.00000
O12 O 0.09427 0.51097 0.26465 1.00000
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