Sm2H5C2
Alexandria ALEXAlex-ID: agm007350125 · Space group: C222 (#21)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_1600_spg21
H4C SmH2 C
2024-02-09 01:24:16
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007350125).
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 agm007350125
data_agm007350125
_cell_length_a 3.45182
_cell_length_b 6.55563
_cell_length_c 6.55566
_cell_angle_alpha 62.33974
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 131.39323
_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 0.33310 0.83676 0.83678 1.00000
Sm2 Sm 0.33310 0.16324 0.16322 1.00000
H1 H 0.67756 0.85951 0.49727 1.00000
H2 H 0.67756 0.14049 0.50273 1.00000
H3 H 0.83310 0.00000 0.00000 1.00000
H4 H 0.98861 0.50267 0.14052 1.00000
H5 H 0.98861 0.49733 0.85948 1.00000
C1 C 0.80441 0.50000 0.00000 1.00000
C2 C 0.86179 0.00000 0.50000 1.00000
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