SmMg(ZnH4)2
Alexandria ALEXAlex-ID: agm007434077 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_39_spg2
MgH6 SmH3 MgH2 Zn
2025-05-27 08:02:06
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007434077).
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 agm007434077
data_agm007434077
_cell_length_a 4.17374
_cell_length_b 4.05725
_cell_length_c 7.80044
_cell_angle_alpha 110.37767
_cell_angle_beta 89.81349
_cell_angle_gamma 99.42901
_cell_volume 121.94553
_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 0.22616 0.35188 0.10885 1.00000
Mg1 Mg 0.31869 0.99670 0.63515 1.00000
Zn1 Zn 0.78454 0.05971 0.36127 1.00000
Zn2 Zn 0.69245 0.67526 0.86600 1.00000
H1 H 0.41675 0.82500 0.02238 1.00000
H2 H 0.48279 0.56086 0.66240 1.00000
H3 H 0.04335 0.91844 0.83239 1.00000
H4 H 0.02812 0.87988 0.19565 1.00000
H5 H 0.92987 0.14728 0.57189 1.00000
H6 H 0.42352 0.81782 0.38199 1.00000
H7 H 0.74452 0.38002 0.27408 1.00000
H8 H 0.70312 0.32201 0.93490 1.00000
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