InSO4
Alexandria ALEXAlex-ID: agm002301465 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_220_spg63
In2(SO4)3 In2S3 In2O3
2019-01-04 17:50:59
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002301465).
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 agm002301465
data_agm002301465
_cell_length_a 4.84718
_cell_length_b 4.84715
_cell_length_c 7.26295
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 92.56944
_cell_volume 170.47175
_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
S1 S 0.82053 0.82053 0.75000 1.00000
S2 S 0.17947 0.17947 0.25000 1.00000
O1 O 0.12574 0.78215 0.75000 1.00000
O2 O 0.87426 0.21785 0.25000 1.00000
O3 O 0.78215 0.12575 0.75000 1.00000
O4 O 0.21785 0.87425 0.25000 1.00000
O5 O 0.31584 0.31584 0.08612 1.00000
O6 O 0.68416 0.68416 0.58612 1.00000
O7 O 0.31584 0.31584 0.41388 1.00000
O8 O 0.68416 0.68416 0.91388 1.00000
In1 In 0.33895 0.33895 0.75000 1.00000
In2 In 0.66105 0.66105 0.25000 1.00000
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