SrCo(IO3)4
Alexandria ALEXAlex-ID: agm022014732 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4D12_147_spg1
Sr(IO3)2 Co(IO3)2
2024-12-11 06:21:25
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm022014732).
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 agm022014732
data_agm022014732
_cell_length_a 6.06484
_cell_length_b 7.16311
_cell_length_c 8.14901
_cell_angle_alpha 101.43911
_cell_angle_beta 97.80187
_cell_angle_gamma 111.51014
_cell_volume 314.27011
_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 0.37727 0.34399 0.97609 1.00000
Co1 Co 0.58225 0.37823 0.44575 1.00000
I1 I 0.62492 0.96963 0.17014 1.00000
I2 I 0.70384 0.08342 0.70673 1.00000
I3 I 0.97339 0.70779 0.83340 1.00000
I4 I 0.18185 0.62778 0.36093 1.00000
O1 O 0.43637 0.11700 0.21749 1.00000
O2 O 0.66548 0.90156 0.37524 1.00000
O3 O 0.37084 0.72134 0.04925 1.00000
O4 O 0.50325 0.19239 0.60622 1.00000
O5 O 0.59274 0.10513 0.90696 1.00000
O6 O 0.98740 0.32341 0.77208 1.00000
O7 O 0.72400 0.63181 0.64281 1.00000
O8 O 0.01988 0.98462 0.88614 1.00000
O9 O 0.79838 0.62982 0.99253 1.00000
O10 O 0.87479 0.42272 0.33129 1.00000
O11 O 0.27934 0.71831 0.59337 1.00000
O12 O 0.32536 0.44330 0.29954 1.00000
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