Cr4Cd3(FeO6)2
Alexandria ALEXAlex-ID: agm009407015 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C4D12_6_spg15
Cd(FeO2)2 Cr2CdO4
2024-12-08 22:11:01
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009407015).
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 agm009407015
data_agm009407015
_cell_length_a 6.15745
_cell_length_b 6.15745
_cell_length_c 13.73473
_cell_angle_alpha 77.37471
_cell_angle_beta 102.62529
_cell_angle_gamma 90.12077
_cell_volume 495.29274
_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
Cr1 Cr 0.00000 0.50000 0.00000 1.00000
Cr2 Cr 0.50000 0.00000 0.50000 1.00000
Cr3 Cr 0.50000 0.50000 0.50000 1.00000
Cr4 Cr 0.16944 0.83537 0.83243 1.00000
Cr5 Cr 0.83056 0.16463 0.16757 1.00000
Cr6 Cr 0.16463 0.83056 0.33243 1.00000
Cr7 Cr 0.83537 0.16944 0.66757 1.00000
Cr8 Cr 0.50000 0.50000 0.00000 1.00000
Cd1 Cd 0.04172 0.70840 0.58398 1.00000
Cd2 Cd 0.70840 0.04172 0.91602 1.00000
Cd3 Cd 0.37413 0.37413 0.25000 1.00000
Cd4 Cd 0.29160 0.95828 0.08398 1.00000
Cd5 Cd 0.95828 0.29160 0.41602 1.00000
Cd6 Cd 0.62587 0.62587 0.75000 1.00000
Fe1 Fe 0.66615 0.83109 0.33298 1.00000
Fe2 Fe 0.33385 0.16891 0.66702 1.00000
Fe3 Fe 0.16891 0.33385 0.83298 1.00000
Fe4 Fe 0.83109 0.66615 0.16702 1.00000
O1 O 0.04702 0.90617 0.17826 1.00000
O2 O 0.71969 0.24439 0.51273 1.00000
O3 O 0.38449 0.57408 0.84533 1.00000
O4 O 0.90617 0.04702 0.32174 1.00000
O5 O 0.57408 0.38449 0.65467 1.00000
O6 O 0.24439 0.71969 0.98727 1.00000
O7 O 0.90529 0.62542 0.31945 1.00000
O8 O 0.57498 0.96266 0.65555 1.00000
O9 O 0.24312 0.29175 0.98589 1.00000
O10 O 0.62542 0.90529 0.18055 1.00000
O11 O 0.29175 0.24312 0.51411 1.00000
O12 O 0.96266 0.57498 0.84445 1.00000
O13 O 0.28031 0.75561 0.48727 1.00000
O14 O 0.95298 0.09383 0.82174 1.00000
O15 O 0.61551 0.42592 0.15467 1.00000
O16 O 0.42592 0.61551 0.34533 1.00000
O17 O 0.09383 0.95298 0.67826 1.00000
O18 O 0.75561 0.28031 0.01273 1.00000
O19 O 0.42502 0.03734 0.34445 1.00000
O20 O 0.09471 0.37458 0.68055 1.00000
O21 O 0.75688 0.70825 0.01411 1.00000
O22 O 0.70825 0.75688 0.48589 1.00000
O23 O 0.37458 0.09471 0.81945 1.00000
O24 O 0.03734 0.42502 0.15555 1.00000
