Tm2Sc13
Alexandria ALEXAlex-ID: agm007780908 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B13_226_spg2
Sc Tm
2024-03-07 18:17:37.456744
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007780908).
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 agm007780908
data_agm007780908
_cell_length_a 5.99582
_cell_length_b 8.71847
_cell_length_c 8.23704
_cell_angle_alpha 61.95344
_cell_angle_beta 85.33445
_cell_angle_gamma 87.69668
_cell_volume 378.76070
_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 0.16385 0.78314 0.44205 1.00000
Tm2 Tm 0.83615 0.21686 0.55795 1.00000
Sc1 Sc 0.33431 0.60103 0.86922 1.00000
Sc2 Sc 0.66569 0.39897 0.13078 1.00000
Sc3 Sc 0.00000 0.00000 0.00000 1.00000
Sc4 Sc 0.66079 0.00139 0.32802 1.00000
Sc5 Sc 0.33921 0.99861 0.67198 1.00000
Sc6 Sc 0.99806 0.60144 0.19581 1.00000
Sc7 Sc 0.00194 0.39856 0.80419 1.00000
Sc8 Sc 0.66565 0.59986 0.53571 1.00000
Sc9 Sc 0.33435 0.40014 0.46429 1.00000
Sc10 Sc 0.50423 0.77673 0.11073 1.00000
Sc11 Sc 0.49577 0.22327 0.88927 1.00000
Sc12 Sc 0.17016 0.22689 0.21708 1.00000
Sc13 Sc 0.82984 0.77311 0.78292 1.00000
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