Sm2H5C2
Alexandria ALEXAlex-ID: agm007338974 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_999_spg1
H4C SmH2 C
2024-02-10 13:49:10
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007338974).
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 agm007338974
data_agm007338974
_cell_length_a 3.71495
_cell_length_b 3.88096
_cell_length_c 6.87603
_cell_angle_alpha 99.28072
_cell_angle_beta 90.00251
_cell_angle_gamma 89.97304
_cell_volume 97.83802
_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 0.00015 0.96345 0.99445 1.00000
Sm2 Sm 0.49990 0.17312 0.49062 1.00000
H1 H 0.23450 0.56732 0.73440 1.00000
H2 H 0.75869 0.53819 0.24037 1.00000
H3 H 0.99955 0.60551 0.47941 1.00000
H4 H 0.76512 0.56723 0.73459 1.00000
H5 H 0.24169 0.53650 0.24056 1.00000
C1 C 0.00000 0.38161 0.75902 1.00000
C2 C 0.00039 0.66705 0.32657 1.00000
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