CaMg9Au2
Alexandria ALEXAlex-ID: agm005921082 · Space group: I4_1/amd (#141)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C9_2_spg141
CaMg2Au Mg3Au Mg
2023-07-24 11:03:34.062806
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005921082).
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 agm005921082
data_agm005921082
_cell_length_a 7.62985
_cell_length_b 9.25716
_cell_length_c 9.25715
_cell_angle_alpha 80.22200
_cell_angle_beta 65.66282
_cell_angle_gamma 65.66282
_cell_volume 542.79739
_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
Ca1 Ca 0.50000 0.00000 0.00000 1.00000
Ca2 Ca 0.25000 0.50000 0.50000 1.00000
Mg1 Mg 0.75000 0.50000 0.50000 1.00000
Mg2 Mg 0.00000 0.00000 0.00000 1.00000
Mg3 Mg 0.01084 0.92312 0.67810 1.00000
Mg4 Mg 0.61206 0.07688 0.32190 1.00000
Mg5 Mg 0.68395 0.17810 0.57688 1.00000
Mg6 Mg 0.43894 0.82190 0.42312 1.00000
Mg7 Mg 0.73916 0.82190 0.57688 1.00000
Mg8 Mg 0.13794 0.17810 0.42312 1.00000
Mg9 Mg 0.06605 0.92312 0.32190 1.00000
Mg10 Mg 0.31106 0.07688 0.67810 1.00000
Mg11 Mg 0.73916 0.57688 0.82190 1.00000
Mg12 Mg 0.13794 0.42312 0.17810 1.00000
Mg13 Mg 0.06605 0.32190 0.92312 1.00000
Mg14 Mg 0.31106 0.67810 0.07688 1.00000
Mg15 Mg 0.01084 0.67810 0.92312 1.00000
Mg16 Mg 0.61206 0.32190 0.07688 1.00000
Mg17 Mg 0.68395 0.57688 0.17810 1.00000
Mg18 Mg 0.43894 0.42312 0.82190 1.00000
Au1 Au 0.87500 0.25000 0.75000 1.00000
Au2 Au 0.87500 0.75000 0.25000 1.00000
Au3 Au 0.87500 0.25000 0.25000 1.00000
Au4 Au 0.37500 0.75000 0.75000 1.00000
