SeIO4
Alexandria ALEXAlex-ID: agm005772436 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_3334_spg14
I2O5 I SeO2
2023-07-31 01:22:46.039424
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005772436).
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 agm005772436
data_agm005772436
_cell_length_a 4.80992
_cell_length_b 5.01382
_cell_length_c 19.90918
_cell_angle_alpha 93.93926
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 478.99745
_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
Se1 Se 0.42902 0.25217 0.89624 1.00000
Se2 Se 0.92902 0.74783 0.60376 1.00000
Se3 Se 0.57098 0.74783 0.10376 1.00000
Se4 Se 0.07098 0.25217 0.39624 1.00000
I1 I 0.94500 0.76520 0.84525 1.00000
I2 I 0.44500 0.23480 0.65475 1.00000
I3 I 0.05500 0.23480 0.15475 1.00000
I4 I 0.55500 0.76520 0.34525 1.00000
O1 O 0.64822 0.03063 0.92740 1.00000
O2 O 0.14822 0.96937 0.57260 1.00000
O3 O 0.35178 0.96937 0.07260 1.00000
O4 O 0.85178 0.03063 0.42740 1.00000
O5 O 0.23580 0.40054 0.95424 1.00000
O6 O 0.73580 0.59946 0.54576 1.00000
O7 O 0.76420 0.59946 0.04576 1.00000
O8 O 0.26420 0.40054 0.45424 1.00000
O9 O 0.58823 0.45236 0.84133 1.00000
O10 O 0.08823 0.54764 0.65867 1.00000
O11 O 0.41177 0.54764 0.15867 1.00000
O12 O 0.91177 0.45236 0.34133 1.00000
O13 O 0.21415 0.08125 0.83196 1.00000
O14 O 0.71415 0.91875 0.66804 1.00000
O15 O 0.78585 0.91875 0.16804 1.00000
O16 O 0.28585 0.08125 0.33196 1.00000
