Sr16Mg12In
Alexandria ALEXAlex-ID: agm005723087 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB12C16_15_spg8
Sr28In11 SrMg2 Sr
2023-06-30 21:43:57.756442
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005723087).
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 agm005723087
data_agm005723087
_cell_length_a 10.92479
_cell_length_b 10.92479
_cell_length_c 12.69727
_cell_angle_alpha 111.99980
_cell_angle_beta 111.99980
_cell_angle_gamma 106.58921
_cell_volume 1131.71417
_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
Sr1 Sr 0.39228 0.39228 0.36062 1.00000
Sr2 Sr 0.00777 0.00777 0.01422 1.00000
Sr3 Sr 0.99412 0.99412 0.70955 1.00000
Sr4 Sr 0.24822 0.24822 0.62248 1.00000
Sr5 Sr 0.64701 0.41535 0.99835 1.00000
Sr6 Sr 0.58106 0.23737 0.57941 1.00000
Sr7 Sr 0.97912 0.74120 0.36892 1.00000
Sr8 Sr 0.00734 0.63264 0.00645 1.00000
Sr9 Sr 0.75123 0.36490 0.34629 1.00000
Sr10 Sr 0.39028 0.99377 0.70165 1.00000
Sr11 Sr 0.99377 0.39028 0.70165 1.00000
Sr12 Sr 0.36490 0.75123 0.34629 1.00000
Sr13 Sr 0.63264 0.00734 0.00645 1.00000
Sr14 Sr 0.74120 0.97912 0.36892 1.00000
Sr15 Sr 0.23737 0.58106 0.57941 1.00000
Sr16 Sr 0.41535 0.64701 0.99835 1.00000
Mg1 Mg 0.81939 0.81939 0.12386 1.00000
Mg2 Mg 0.61399 0.61399 0.80058 1.00000
Mg3 Mg 0.37097 0.18802 0.03148 1.00000
Mg4 Mg 0.81880 0.63115 0.67748 1.00000
Mg5 Mg 0.18897 0.00061 0.31335 1.00000
Mg6 Mg 0.38847 0.00142 0.18133 1.00000
Mg7 Mg 0.19413 0.81569 0.85155 1.00000
Mg8 Mg 0.81569 0.19413 0.85155 1.00000
Mg9 Mg 0.00142 0.38847 0.18133 1.00000
Mg10 Mg 0.00061 0.18897 0.31335 1.00000
Mg11 Mg 0.63115 0.81880 0.67748 1.00000
Mg12 Mg 0.18802 0.37097 0.03148 1.00000
In1 In 0.58477 0.58477 0.25618 1.00000
