Ca8Mg3Au2
Alexandria ALEXAlex-ID: agm005646097 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C8_145_spg65
Ca3Au Ca4MgAu CaMg2
2023-06-16 00:27:13.398711
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005646097).
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 agm005646097
data_agm005646097
_cell_length_a 5.63427
_cell_length_b 8.99189
_cell_length_c 9.47684
_cell_angle_alpha 118.32119
_cell_angle_beta 90.00051
_cell_angle_gamma 90.00000
_cell_volume 422.65295
_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 0.00001 0.69067 0.38134 1.00000
Ca2 Ca 0.99999 0.30933 0.61866 1.00000
Ca3 Ca 0.00000 0.10863 0.21726 1.00000
Ca4 Ca 1.00000 0.89137 0.78274 1.00000
Ca5 Ca 0.50000 0.58921 0.74166 1.00000
Ca6 Ca 0.50000 0.15245 0.74166 1.00000
Ca7 Ca 0.50001 0.84755 0.25834 1.00000
Ca8 Ca 0.50000 0.41079 0.25834 1.00000
Mg1 Mg 0.50000 0.00000 0.00000 1.00000
Mg2 Mg 1.00000 0.32724 0.00000 1.00000
Mg3 Mg 0.00000 0.67276 1.00000 1.00000
Au1 Au 0.50000 0.22454 0.44908 1.00000
Au2 Au 0.50000 0.77546 0.55092 1.00000
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