TmMgSc
Alexandria ALEXAlex-ID: agm005609780 · Space group: P4/nmm (#129)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_260_spg129
MgSc2 Tm2Mg
2023-06-19 10:50:13.633790
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005609780).
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 agm005609780
data_agm005609780
_cell_length_a 3.34502
_cell_length_b 3.34720
_cell_length_c 13.85416
_cell_angle_alpha 90.00293
_cell_angle_beta 89.99602
_cell_angle_gamma 89.99613
_cell_volume 155.11715
_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
Tm1 Tm 0.87261 0.29115 0.50323 1.00000
Tm2 Tm 0.37259 0.79115 0.00922 1.00000
Mg1 Mg 0.87167 0.29109 0.18139 1.00000
Mg2 Mg 0.37169 0.79114 0.33069 1.00000
Sc1 Sc 0.87301 0.29102 0.83724 1.00000
Sc2 Sc 0.37300 0.79113 0.67513 1.00000
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