Sr4CeHf4CrO15
Alexandria ALEXAlex-ID: agm010744699 · 空间群: Cmmm (#65)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC4D4E15_6_spg35
Ce11O20 SrHfO3 Cr2O3 Cr
2024-12-07 18:48:32.886509
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010744699).
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 agm010744699
data_agm010744699
_cell_length_a 14.81039
_cell_length_b 14.81039
_cell_length_c 4.09756
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 157.45727
_cell_volume 344.57143
_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 0.58960 0.41040 0.00000 1.00000
Sr2 Sr 0.41040 0.58960 0.00000 1.00000
Sr3 Sr 0.20423 0.79577 0.00000 1.00000
Sr4 Sr 0.79577 0.20423 0.00000 1.00000
Ce1 Ce 0.00000 0.00000 0.00000 1.00000
Hf1 Hf 0.09780 0.90220 0.50000 1.00000
Hf2 Hf 0.90220 0.09780 0.50000 1.00000
Hf3 Hf 0.69808 0.30192 0.50000 1.00000
Hf4 Hf 0.30192 0.69808 0.50000 1.00000
Cr1 Cr 0.50000 0.50000 0.50000 1.00000
O1 O 0.50000 0.50000 0.00000 1.00000
O2 O 0.50000 0.00000 0.50000 1.00000
O3 O 0.00000 0.50000 0.50000 1.00000
O4 O 0.29732 0.70268 0.00000 1.00000
O5 O 0.70268 0.29732 0.00000 1.00000
O6 O 0.91034 0.08966 0.00000 1.00000
O7 O 0.08966 0.91034 0.00000 1.00000
O8 O 0.70457 0.79792 0.50000 1.00000
O9 O 0.29543 0.20208 0.50000 1.00000
O10 O 0.79792 0.70457 0.50000 1.00000
O11 O 0.20208 0.29543 0.50000 1.00000
O12 O 0.09839 0.39519 0.50000 1.00000
O13 O 0.90161 0.60481 0.50000 1.00000
O14 O 0.60481 0.90161 0.50000 1.00000
O15 O 0.39519 0.09839 0.50000 1.00000
