Mg2InAg6
Alexandria ALEXAlex-ID: agm005667494 · Space group: P4_2/mnm (#136)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_659_spg136
MgAg3 In
2023-07-08 14:45:17.124199
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005667494).
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 agm005667494
data_agm005667494
_cell_length_a 4.34527
_cell_length_b 8.77261
_cell_length_c 8.77227
_cell_angle_alpha 89.99999
_cell_angle_beta 90.00107
_cell_angle_gamma 89.99999
_cell_volume 334.39296
_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 0.00008 0.31620 0.81617 1.00000
Mg2 Mg 0.49992 0.81620 0.68383 1.00000
Mg3 Mg 0.50008 0.18380 0.31617 1.00000
Mg4 Mg 0.99992 0.68380 0.18383 1.00000
In1 In 0.50000 0.50000 0.00000 1.00000
In2 In 0.00000 0.00000 0.50000 1.00000
Ag1 Ag 0.00002 0.01217 0.16450 1.00000
Ag2 Ag 0.99996 0.66450 0.51220 1.00000
Ag3 Ag 0.99997 0.65468 0.84535 1.00000
Ag4 Ag 0.50003 0.15468 0.65465 1.00000
Ag5 Ag 0.50004 0.16450 0.98780 1.00000
Ag6 Ag 0.49998 0.51217 0.33550 1.00000
Ag7 Ag 0.99998 0.98783 0.83550 1.00000
Ag8 Ag 0.00004 0.33550 0.48780 1.00000
Ag9 Ag 0.00003 0.34532 0.15465 1.00000
Ag10 Ag 0.49997 0.84532 0.34535 1.00000
Ag11 Ag 0.49996 0.83550 0.01220 1.00000
Ag12 Ag 0.50002 0.48783 0.66450 1.00000
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