Pr2SmI8
Alexandria ALEXAlex-ID: agm003523931 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_390_spg12
Pr2I5 SmI3
2022-03-15 09:32:27.516794
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003523931).
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 agm003523931
data_agm003523931
_cell_length_a 6.63451
_cell_length_b 9.89780
_cell_length_c 9.89780
_cell_angle_alpha 70.75583
_cell_angle_beta 89.71976
_cell_angle_gamma 89.71976
_cell_volume 613.63022
_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
Pr1 Pr 0.30065 0.19764 0.19764 1.00000
Pr2 Pr 0.69935 0.80236 0.80236 1.00000
Sm1 Sm 0.00000 0.00000 0.00000 1.00000
I1 I 0.74942 0.12658 0.71706 1.00000
I2 I 0.25058 0.28294 0.87342 1.00000
I3 I 0.78227 0.17806 0.17806 1.00000
I4 I 0.21773 0.82194 0.82194 1.00000
I5 I 0.74942 0.71706 0.12658 1.00000
I6 I 0.25058 0.87342 0.28294 1.00000
I7 I 0.25236 0.37968 0.37968 1.00000
I8 I 0.74764 0.62032 0.62032 1.00000
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