Cr3Fe2Sb3O16
Alexandria ALEXAlex-ID: agm005287404 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C3D16_1_spg8
CrSbO4 CrO2 FeSbO4
2023-05-09 21:54:50.512515
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005287404).
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}
}3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm005287404
data_agm005287404
_cell_length_a 6.04936
_cell_length_b 6.04936
_cell_length_c 9.17732
_cell_angle_alpha 89.26952
_cell_angle_beta 89.26952
_cell_angle_gamma 60.06336
_cell_volume 291.00108
_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 0.83354 0.33528 0.79077 1.00000
Cr2 Cr 0.33528 0.83354 0.79077 1.00000
Cr3 Cr 0.17049 0.17049 0.29031 1.00000
Fe1 Fe 0.65517 0.65517 0.51135 1.00000
Fe2 Fe 0.32688 0.32688 0.00325 1.00000
Sb1 Sb 0.83265 0.83265 0.78725 1.00000
Sb2 Sb 0.66673 0.17046 0.28687 1.00000
Sb3 Sb 0.17046 0.66673 0.28687 1.00000
O1 O 0.83012 0.32924 0.39864 1.00000
O2 O 0.52520 0.52520 0.67828 1.00000
O3 O 0.66667 0.66667 0.90238 1.00000
O4 O 0.00287 0.00287 0.68430 1.00000
O5 O 0.00386 0.00386 0.17809 1.00000
O6 O 0.32924 0.83012 0.39864 1.00000
O7 O 0.95195 0.51423 0.66403 1.00000
O8 O 0.51423 0.95195 0.66403 1.00000
O9 O 0.16317 0.16317 0.88820 1.00000
O10 O 0.83415 0.83415 0.40012 1.00000
O11 O 0.48172 0.04660 0.16350 1.00000
O12 O 0.04660 0.48172 0.16350 1.00000
O13 O 0.33530 0.33530 0.40616 1.00000
O14 O 0.67005 0.17151 0.89513 1.00000
O15 O 0.48427 0.48427 0.15700 1.00000
O16 O 0.17151 0.67005 0.89513 1.00000
