Sm2UH7
Alexandria ALEXAlex-ID: agm006208705 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_595_spg2
UH3 SmH2
2024-02-01 13:19:16
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006208705).
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 agm006208705
data_agm006208705
_cell_length_a 5.64932
_cell_length_b 6.65485
_cell_length_c 6.56917
_cell_angle_alpha 57.68803
_cell_angle_beta 32.58156
_cell_angle_gamma 69.52360
_cell_volume 109.61969
_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
U1 U 0.00000 0.00000 0.00000 1.00000
Sm1 Sm 0.93370 0.66987 0.73589 1.00000
Sm2 Sm 0.06630 0.33013 0.26411 1.00000
H1 H 0.50000 0.50000 0.50000 1.00000
H2 H 0.18526 0.68265 0.21071 1.00000
H3 H 0.68551 0.27066 0.25173 1.00000
H4 H 0.31449 0.72934 0.74827 1.00000
H5 H 0.75735 0.97364 0.51835 1.00000
H6 H 0.24265 0.02636 0.48165 1.00000
H7 H 0.81474 0.31735 0.78929 1.00000
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