Y6TmSc2
Alexandria ALEXAlex-ID: agm005640171 · Space group: Ibam (#72)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_1477_spg12
Y15Tm Y5Tm Sc
2023-07-09 09:24:11.512807
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005640171).
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 agm005640171
data_agm005640171
_cell_length_a 5.52108
_cell_length_b 11.70232
_cell_length_c 11.70232
_cell_angle_alpha 48.07870
_cell_angle_beta 103.62256
_cell_angle_gamma 103.62257
_cell_volume 543.54241
_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
Y1 Y 0.82552 0.50250 0.66897 1.00000
Y2 Y 0.67448 0.33103 0.49750 1.00000
Y3 Y 0.17448 0.49750 0.33103 1.00000
Y4 Y 0.32552 0.66897 0.50250 1.00000
Y5 Y 0.91908 0.91975 0.41916 1.00000
Y6 Y 0.58092 0.58084 0.08025 1.00000
Y7 Y 0.08092 0.08025 0.58084 1.00000
Y8 Y 0.41908 0.41916 0.91975 1.00000
Y9 Y 0.15536 0.83094 0.99774 1.00000
Y10 Y 0.34464 0.00226 0.16906 1.00000
Y11 Y 0.84464 0.16906 0.00226 1.00000
Y12 Y 0.65536 0.99774 0.83094 1.00000
Tm1 Tm 0.25000 0.25014 0.74986 1.00000
Tm2 Tm 0.75000 0.74986 0.25014 1.00000
Sc1 Sc 0.00697 0.66660 0.83333 1.00000
Sc2 Sc 0.49303 0.16667 0.33340 1.00000
Sc3 Sc 0.99303 0.33340 0.16667 1.00000
Sc4 Sc 0.50697 0.83333 0.66660 1.00000
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