Mg12Tl5Ag2
Alexandria ALEXAlex-ID: agm003370396 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C12_28_spg12
Mg2Ag Mg2Tl Tl
2022-02-07 02:59:33.110283
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003370396).
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 agm003370396
data_agm003370396
_cell_length_a 8.67639
_cell_length_b 8.14691
_cell_length_c 7.43798
_cell_angle_alpha 88.64245
_cell_angle_beta 90.00000
_cell_angle_gamma 122.17427
_cell_volume 444.84549
_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 0.90943 0.81887 0.11418 1.00000
Mg2 Mg 0.03834 0.70097 0.77067 1.00000
Mg3 Mg 0.66263 0.70097 0.77067 1.00000
Mg4 Mg 0.17786 0.76873 0.35093 1.00000
Mg5 Mg 0.59087 0.76873 0.35093 1.00000
Mg6 Mg 0.44588 0.89176 0.69500 1.00000
Mg7 Mg 0.55412 0.10824 0.30500 1.00000
Mg8 Mg 0.82214 0.23127 0.64907 1.00000
Mg9 Mg 0.40913 0.23127 0.64907 1.00000
Mg10 Mg 0.96166 0.29903 0.22933 1.00000
Mg11 Mg 0.33737 0.29903 0.22933 1.00000
Mg12 Mg 0.09057 0.18113 0.88582 1.00000
Tl1 Tl 0.23994 0.47988 0.56561 1.00000
Tl2 Tl 0.31116 0.62233 0.02767 1.00000
Tl3 Tl 0.00000 0.00000 0.50000 1.00000
Tl4 Tl 0.68884 0.37767 0.97233 1.00000
Tl5 Tl 0.76006 0.52012 0.43439 1.00000
Ag1 Ag 0.70952 0.00000 0.00000 1.00000
Ag2 Ag 0.29048 1.00000 1.00000 1.00000
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