Sr5Mn2NbAl2O13
Alexandria ALEXAlex-ID: agm010791068 · 空间群: Cc (#9)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2D5E13_1_spg194
Sr2MnNbO6 Sr4Mn2O7 Sr3Al4O9 Sr4Nb2O9 MnO
2025-04-01 17:41:14.967407
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010791068).
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 agm010791068
data_agm010791068
_cell_length_a 5.59446
_cell_length_b 5.74171
_cell_length_c 23.72553
_cell_angle_alpha 90.19189
_cell_angle_beta 90.40413
_cell_angle_gamma 60.84382
_cell_volume 665.52709
_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 0.63395 0.68884 0.45763 1.00000
Sr2 Sr 0.30036 0.37337 0.53937 1.00000
Sr3 Sr 0.32327 0.31080 0.95766 1.00000
Sr4 Sr 0.67426 0.62641 0.03929 1.00000
Sr5 Sr 0.99332 0.99515 0.86291 1.00000
Sr6 Sr 0.01739 0.00207 0.14059 1.00000
Sr7 Sr 0.98834 0.00463 0.36302 1.00000
Sr8 Sr 0.01889 0.99777 0.64073 1.00000
Sr9 Sr 0.67699 0.66353 0.75430 1.00000
Sr10 Sr 0.34071 0.33660 0.25434 1.00000
Mn1 Mn 0.66441 0.65209 0.89740 1.00000
Mn2 Mn 0.34807 0.32661 0.10892 1.00000
Mn3 Mn 0.31643 0.34741 0.39743 1.00000
Mn4 Mn 0.67402 0.67349 0.60889 1.00000
Nb1 Nb 0.99899 0.97024 0.00165 1.00000
Nb2 Nb 0.96902 0.02951 0.50175 1.00000
Al1 Al 0.67170 0.64208 0.31805 1.00000
Al2 Al 0.34912 0.34239 0.68245 1.00000
Al3 Al 0.31396 0.35823 0.81797 1.00000
Al4 Al 0.69197 0.65792 0.18244 1.00000
O1 O 0.55735 0.02067 0.82752 1.00000
O2 O 0.45539 0.00565 0.17450 1.00000
O3 O 0.00333 0.43088 0.85321 1.00000
O4 O 0.57715 0.97967 0.32775 1.00000
O5 O 0.03396 0.59125 0.17144 1.00000
O6 O 0.46011 0.99472 0.67463 1.00000
O7 O 0.44850 0.56299 0.84442 1.00000
O8 O 0.01103 0.43725 0.34448 1.00000
O9 O 0.61911 0.46716 0.13381 1.00000
O10 O 0.08521 0.53278 0.63385 1.00000
O11 O 0.43409 0.56884 0.35328 1.00000
O12 O 0.62430 0.40907 0.67129 1.00000
O13 O 0.78904 0.29314 0.95207 1.00000
O14 O 0.21819 0.62482 0.04046 1.00000
O15 O 0.33986 0.85998 0.94511 1.00000
O16 O 0.08232 0.70642 0.45222 1.00000
O17 O 0.69111 0.05722 0.04998 1.00000
O18 O 0.84263 0.37522 0.54039 1.00000
O19 O 0.87152 0.76919 0.94480 1.00000
O20 O 0.64063 0.23013 0.44486 1.00000
O21 O 0.13458 0.16080 0.04972 1.00000
O22 O 0.29501 0.83924 0.54991 1.00000
O23 O 0.19964 0.13962 0.44516 1.00000
O24 O 0.74800 0.94276 0.55010 1.00000
O25 O 0.67470 0.52378 0.24913 1.00000
O26 O 0.19808 0.47758 0.74912 1.00000
