Y2Tm3Sc4
Alexandria ALEXAlex-ID: agm003336728 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_573_spg15
Y5Tm YTm2 Sc
2022-01-30 03:57:58.439780
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003336728).
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 agm003336728
data_agm003336728
_cell_length_a 5.85537
_cell_length_b 10.84455
_cell_length_c 10.84455
_cell_angle_alpha 60.87127
_cell_angle_beta 61.89937
_cell_angle_gamma 61.89937
_cell_volume 503.83131
_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 0.43925 0.22684 0.51571 1.00000
Y2 Y 0.06075 0.48429 0.77316 1.00000
Y3 Y 0.56075 0.77316 0.48429 1.00000
Y4 Y 0.93925 0.51571 0.22684 1.00000
Tm1 Tm 0.79523 0.07065 0.25442 1.00000
Tm2 Tm 0.70477 0.74558 0.92935 1.00000
Tm3 Tm 0.20477 0.92935 0.74558 1.00000
Tm4 Tm 0.29523 0.25442 0.07065 1.00000
Tm5 Tm 0.25000 0.60019 0.39981 1.00000
Tm6 Tm 0.75000 0.39981 0.60019 1.00000
Sc1 Sc 0.43753 0.89985 0.18038 1.00000
Sc2 Sc 0.06247 0.81962 0.10015 1.00000
Sc3 Sc 0.56247 0.10015 0.81962 1.00000
Sc4 Sc 0.93753 0.18038 0.89985 1.00000
Sc5 Sc 0.09416 0.13596 0.42530 1.00000
Sc6 Sc 0.40584 0.57470 0.86404 1.00000
Sc7 Sc 0.90584 0.86404 0.57470 1.00000
Sc8 Sc 0.59416 0.42530 0.13596 1.00000
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