SmMg(CdH4)2
Alexandria ALEXAlex-ID: agm007751063 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_376_spg2
MgH6 SmH3 MgH2 Cd
2024-02-09 04:53:41
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007751063).
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 agm007751063
data_agm007751063
_cell_length_a 7.10331
_cell_length_b 7.10331
_cell_length_c 6.70327
_cell_angle_alpha 67.02982
_cell_angle_beta 67.02982
_cell_angle_gamma 26.63884
_cell_volume 138.91961
_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 0.50000 0.50000 0.00000 1.00000
Mg1 Mg 0.00000 0.00000 0.50000 1.00000
Cd1 Cd 0.74861 0.74861 0.20227 1.00000
Cd2 Cd 0.25139 0.25139 0.79773 1.00000
H1 H 0.89537 0.89537 0.98806 1.00000
H2 H 0.59279 0.59279 0.34621 1.00000
H3 H 0.10463 0.10463 0.01194 1.00000
H4 H 0.29323 0.29323 0.30608 1.00000
H5 H 0.70677 0.70677 0.69392 1.00000
H6 H 0.95073 0.95073 0.27626 1.00000
H7 H 0.04927 0.04927 0.72374 1.00000
H8 H 0.40721 0.40721 0.65379 1.00000
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