MgTaTi
Alexandria ALEXAlex-ID: agm005667585 · Space group: P4/nmm (#129)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_10608_spg129
Mg Ta Ti
2023-06-19 11:04:30.083435
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005667585).
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 agm005667585
data_agm005667585
_cell_length_a 3.29851
_cell_length_b 3.29441
_cell_length_c 11.19997
_cell_angle_alpha 107.09343
_cell_angle_beta 89.99189
_cell_angle_gamma 90.00209
_cell_volume 116.33009
_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 0.26820 0.87023 0.66920 1.00000
Mg2 Mg 0.76778 0.18222 0.48144 1.00000
Ta1 Ta 0.26813 0.19881 0.99888 1.00000
Ta2 Ta 0.76810 0.85211 0.15206 1.00000
Ti1 Ti 0.76817 0.55604 0.85523 1.00000
Ti2 Ti 0.26801 0.49512 0.29565 1.00000
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