Tm6Mg2Sc
Alexandria ALEXAlex-ID: agm005656258 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_2818_spg12
Tm2Mg Tm Sc
2023-07-08 15:25:33.917422
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005656258).
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 agm005656258
data_agm005656258
_cell_length_a 3.38445
_cell_length_b 14.48906
_cell_length_c 5.81805
_cell_angle_alpha 70.72669
_cell_angle_beta 73.09057
_cell_angle_gamma 83.29291
_cell_volume 257.60122
_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 0.72154 0.60460 0.95231 1.00000
Tm2 Tm 0.27846 0.39540 0.04769 1.00000
Tm3 Tm 0.86380 0.93474 0.33766 1.00000
Tm4 Tm 0.44123 0.71726 0.40028 1.00000
Tm5 Tm 0.13620 0.06526 0.66234 1.00000
Tm6 Tm 0.55877 0.28274 0.59972 1.00000
Mg1 Mg 0.15665 0.82413 0.86256 1.00000
Mg2 Mg 0.84335 0.17587 0.13744 1.00000
Sc1 Sc 0.00000 0.50000 0.50000 1.00000
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