Sm2Ge2H5
Alexandria ALEXAlex-ID: agm007298712 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_535_spg2
SmGeH SmH3 Ge
2025-04-28 17:00:57
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007298712).
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 agm007298712
data_agm007298712
_cell_length_a 4.06767
_cell_length_b 6.15411
_cell_length_c 6.10489
_cell_angle_alpha 106.14998
_cell_angle_beta 109.59418
_cell_angle_gamma 109.45676
_cell_volume 121.97855
_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 0.53279 0.31078 0.20335 1.00000
Sm2 Sm 0.51072 0.66886 0.78905 1.00000
Ge1 Ge 0.79728 0.17876 0.68827 1.00000
Ge2 Ge 0.25994 0.79551 0.27225 1.00000
H1 H 0.56195 0.69850 0.19729 1.00000
H2 H 0.50590 0.27399 0.78125 1.00000
H3 H 0.89823 0.64149 0.60359 1.00000
H4 H 0.15177 0.36647 0.39684 1.00000
H5 H 0.78142 0.06566 0.06812 1.00000
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