Sm8H4I
Alexandria ALEXAlex-ID: agm097684510 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_879_spg6
SmHI SmH2 Sm
2025-06-15 15:40:50
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097684510).
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 agm097684510
data_agm097684510
_cell_length_a 3.79282
_cell_length_b 9.64454
_cell_length_c 9.68462
_cell_angle_alpha 61.39892
_cell_angle_beta 90.00520
_cell_angle_gamma 90.01131
_cell_volume 311.03382
_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 0.84652 0.29583 0.02073 1.00000
Sm2 Sm 0.84620 0.72767 0.31165 1.00000
Sm3 Sm 0.84614 0.70652 0.67320 1.00000
Sm4 Sm 0.84623 0.03082 0.74309 1.00000
Sm5 Sm 0.34613 0.02453 0.39660 1.00000
Sm6 Sm 0.84582 0.36583 0.34156 1.00000
Sm7 Sm 0.34603 0.41057 0.63595 1.00000
Sm8 Sm 0.34620 0.64493 0.00886 1.00000
H1 H 0.84617 0.76754 0.87772 1.00000
H2 H 0.84618 0.49575 0.07332 1.00000
H3 H 0.34583 0.54226 0.34104 1.00000
H4 H 0.84621 0.97970 0.54324 1.00000
I1 I 0.34633 0.00806 0.03302 1.00000
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