Mg2Tc
Alexandria ALEXAlex-ID: agm005459481 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2_4_spg12
MgTc Mg
2023-03-21 11:20:22.742879
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005459481).
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 agm005459481
data_agm005459481
_cell_length_a 5.98493
_cell_length_b 5.98493
_cell_length_c 6.31860
_cell_angle_alpha 75.50257
_cell_angle_beta 75.50257
_cell_angle_gamma 30.42701
_cell_volume 110.69743
_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 0.17834 0.17834 0.88719 1.00000
Mg2 Mg 0.87360 0.87360 0.55152 1.00000
Mg3 Mg 0.12640 0.12640 0.44848 1.00000
Mg4 Mg 0.82166 0.82166 0.11281 1.00000
Tc1 Tc 0.50957 0.50957 0.17811 1.00000
Tc2 Tc 0.49043 0.49043 0.82189 1.00000
Get direct link