Mg2Ti(AuO2)3
Alexandria ALEXAlex-ID: agm017632115 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_550_spg2
Mg2Ti(AuO2)3
2024-10-01 13:39:25.311804
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017632115).
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 agm017632115
data_agm017632115
_cell_length_a 5.35183
_cell_length_b 5.35183
_cell_length_c 6.39948
_cell_angle_alpha 81.96349
_cell_angle_beta 81.96349
_cell_angle_gamma 119.95644
_cell_volume 152.48180
_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 0.33336 0.66664 0.00000 1.00000
Mg2 Mg 0.66664 0.33336 0.00000 1.00000
Ti1 Ti 0.00000 0.00000 0.00000 1.00000
Au1 Au 0.16193 0.83807 0.50000 1.00000
Au2 Au 0.83807 0.16193 0.50000 1.00000
Au3 Au 0.50000 0.50000 0.50000 1.00000
O1 O 0.26158 0.94346 0.16774 1.00000
O2 O 0.37293 0.37293 0.83209 1.00000
O3 O 0.73842 0.05654 0.83226 1.00000
O4 O 0.94346 0.26158 0.16774 1.00000
O5 O 0.62707 0.62707 0.16791 1.00000
O6 O 0.05654 0.73842 0.83226 1.00000
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