Mg2Si3Ni2
Alexandria ALEXAlex-ID: agm003309529 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3_21_spg12
MgSiNi Si
2022-02-03 17:49:17.993607
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003309529).
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 agm003309529
data_agm003309529
_cell_length_a 3.82343
_cell_length_b 4.99935
_cell_length_c 6.32546
_cell_angle_alpha 114.58289
_cell_angle_beta 90.00000
_cell_angle_gamma 112.48198
_cell_volume 99.75616
_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 0.84430 0.68860 0.20556 1.00000
Mg2 Mg 0.15570 0.31140 0.79444 1.00000
Si1 Si 0.50000 0.00000 0.00000 1.00000
Si2 Si 0.62142 0.24283 0.45046 1.00000
Si3 Si 0.37858 0.75717 0.54954 1.00000
Ni1 Ni 0.87244 0.74487 0.78207 1.00000
Ni2 Ni 0.12756 0.25513 0.21793 1.00000
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