Mg3Sb2H9
Alexandria ALEXAlex-ID: agm006199836 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C9_677_spg2
SbH3 Mg3Sb2 MgH2
2024-02-07 06:30:29
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006199836).
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 agm006199836
data_agm006199836
_cell_length_a 8.38963
_cell_length_b 6.75492
_cell_length_c 4.77818
_cell_angle_alpha 65.51371
_cell_angle_beta 94.94620
_cell_angle_gamma 132.55160
_cell_volume 173.76560
_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
Sb1 Sb 0.19948 0.70772 0.57734 1.00000
Sb2 Sb 0.80052 0.29228 0.42266 1.00000
Mg1 Mg 0.40184 0.56642 0.22882 1.00000
Mg2 Mg 0.00000 0.00000 0.00000 1.00000
Mg3 Mg 0.59816 0.43358 0.77118 1.00000
H1 H 0.70868 0.73894 0.32545 1.00000
H2 H 0.78479 0.00043 0.69785 1.00000
H3 H 0.50000 0.00000 0.00000 1.00000
H4 H 0.21521 0.99957 0.30215 1.00000
H5 H 0.87515 0.71235 0.86384 1.00000
H6 H 0.12485 0.28765 0.13616 1.00000
H7 H 0.29132 0.26106 0.67455 1.00000
H8 H 0.00000 0.50000 0.00000 1.00000
H9 H 0.50000 0.50000 0.00000 1.00000
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