Mg3(NiH2)2
Alexandria ALEXAlex-ID: agm006381850 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_2_spg71
Mg2NiH4 Mg2Ni MgNi2
2024-02-24 11:09:21
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006381850).
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 agm006381850
data_agm006381850
_cell_length_a 5.05318
_cell_length_b 5.05318
_cell_length_c 6.83907
_cell_angle_alpha 68.77902
_cell_angle_beta 68.77902
_cell_angle_gamma 35.73012
_cell_volume 94.31750
_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
Mg1 Mg 0.37094 0.37094 0.70734 1.00000
Mg2 Mg 0.00000 0.00000 0.00000 1.00000
Mg3 Mg 0.62906 0.62906 0.29266 1.00000
Ni1 Ni 0.34071 0.34071 0.33675 1.00000
Ni2 Ni 0.65929 0.65929 0.66325 1.00000
H1 H 0.28229 0.28229 0.14472 1.00000
H2 H 0.71771 0.71771 0.85528 1.00000
H3 H 0.16269 0.16269 0.54452 1.00000
H4 H 0.83731 0.83731 0.45548 1.00000
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