Sm(HI2)2
Alexandria ALEXAlex-ID: agm005997457 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_1885_spg2
H6I SmI3 I
2023-07-10 08:04:31.202871
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005997457).
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
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# CIF generated by HEAS from Alexandria entry agm005997457
data_agm005997457
_cell_length_a 7.58842
_cell_length_b 4.46671
_cell_length_c 8.64139
_cell_angle_alpha 91.47880
_cell_angle_beta 81.88354
_cell_angle_gamma 90.91140
_cell_volume 289.84945
_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 0.00000 0.50000 0.00000 1.00000
H1 H 0.49396 0.00525 0.54397 1.00000
H2 H 0.50604 0.99475 0.45603 1.00000
I1 I 0.60445 0.49129 0.14868 1.00000
I2 I 0.93268 0.98582 0.76474 1.00000
I3 I 0.39555 0.50871 0.85132 1.00000
I4 I 0.06732 0.01418 0.23526 1.00000
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