Sm4InO8
Alexandria ALEXAlex-ID: agm098190147 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_1878_spg1
SmInO3 Sm2O3 SmO2
2025-06-17 21:44:22
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm098190147).
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 agm098190147
data_agm098190147
_cell_length_a 4.43117
_cell_length_b 6.95509
_cell_length_c 7.36874
_cell_angle_alpha 111.44875
_cell_angle_beta 90.24080
_cell_angle_gamma 85.88545
_cell_volume 210.76672
_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
Sm1 Sm 0.25935 0.96226 0.85689 1.00000
Sm2 Sm 0.22788 0.63086 0.13648 1.00000
Sm3 Sm 0.23218 0.42736 0.54151 1.00000
Sm4 Sm 0.77951 0.99050 0.49266 1.00000
In1 In 0.76693 0.25592 0.16112 1.00000
O1 O 0.75479 0.06386 0.84504 1.00000
O2 O 0.30286 0.63368 0.84050 1.00000
O3 O 0.73338 0.59107 0.21427 1.00000
O4 O 0.73674 0.31987 0.47262 1.00000
O5 O 0.19757 0.75864 0.51043 1.00000
O6 O 0.26228 0.11804 0.60013 1.00000
O7 O 0.26540 0.29273 0.14975 1.00000
O8 O 0.98113 0.95520 0.17861 1.00000
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