Na2Mg4In3
Alexandria ALEXAlex-ID: agm005643164 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_773_spg12
NaMgIn Mg3In NaIn
2023-06-27 11:06:58.380257
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005643164).
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 agm005643164
data_agm005643164
_cell_length_a 4.71177
_cell_length_b 5.58228
_cell_length_c 9.58447
_cell_angle_alpha 76.88319
_cell_angle_beta 89.99996
_cell_angle_gamma 114.96279
_cell_volume 221.26845
_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
Na1 Na 0.32159 0.64317 0.22980 1.00000
Na2 Na 0.67841 0.35683 0.77020 1.00000
Mg1 Mg 0.65754 0.31508 0.10878 1.00000
Mg2 Mg 0.01809 0.03618 0.65718 1.00000
Mg3 Mg 0.98191 0.96382 0.34282 1.00000
Mg4 Mg 0.34246 0.68492 0.89122 1.00000
In1 In 0.34400 0.68801 0.56778 1.00000
In2 In 0.00000 0.00000 0.00000 1.00000
In3 In 0.65600 0.31199 0.43223 1.00000
Get direct link