Sr3YNb2Cr2O12
Alexandria ALEXAlex-ID: agm010792452 · 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_32_spg1
YCrO3 Sr2NbCrO6 YNbO4 Y2O3 Cr
2024-04-22 23:18:26.788000
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010792452).
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 agm010792452
data_agm010792452
_cell_length_a 5.65349
_cell_length_b 5.71347
_cell_length_c 7.99390
_cell_angle_alpha 89.95215
_cell_angle_beta 89.88973
_cell_angle_gamma 88.58531
_cell_volume 258.13203
_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 0.48994 0.53865 0.74842 1.00000
Sr2 Sr 0.00424 0.02577 0.75125 1.00000
Sr3 Sr 0.50668 0.46745 0.25293 1.00000
Y1 Y 0.99632 0.94038 0.25398 1.00000
Nb1 Nb 0.00100 0.49424 0.50291 1.00000
Nb2 Nb 0.49862 0.00332 0.00200 1.00000
Cr1 Cr 0.00323 0.49797 0.00426 1.00000
Cr2 Cr 0.49906 0.00258 0.49867 1.00000
O1 O 0.71379 0.70986 0.46190 1.00000
O2 O 0.79217 0.20337 0.05232 1.00000
O3 O 0.28930 0.28625 0.96480 1.00000
O4 O 0.18178 0.78682 0.52252 1.00000
O5 O 0.29409 0.30111 0.53245 1.00000
O6 O 0.22138 0.78198 0.96817 1.00000
O7 O 0.72786 0.72865 0.04711 1.00000
O8 O 0.82434 0.20843 0.43684 1.00000
O9 O 0.56354 0.98902 0.75930 1.00000
O10 O 0.93078 0.47782 0.75025 1.00000
O11 O 0.39182 0.01485 0.24319 1.00000
O12 O 0.07005 0.54150 0.24674 1.00000
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