Tb3Sc5Sn
Alexandria ALEXAlex-ID: agm072404166 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C5_1259_spg1
Tb3Sc2Sn3 Tb Sc
2024-09-24 20:16:39.029261
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072404166).
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
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# CIF generated by HEAS from Alexandria entry agm072404166
data_agm072404166
_cell_length_a 5.89598
_cell_length_b 5.82430
_cell_length_c 8.54018
_cell_angle_alpha 93.07975
_cell_angle_beta 111.24257
_cell_angle_gamma 111.95672
_cell_volume 247.37016
_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
Tb1 Tb 0.54141 0.01714 0.49682 1.00000
Tb2 Tb 0.75833 0.42394 0.01300 1.00000
Tb3 Tb 0.31269 0.70536 0.89020 1.00000
Sc1 Sc 0.01523 0.52502 0.44596 1.00000
Sc2 Sc 0.38841 0.42113 0.23960 1.00000
Sc3 Sc 0.65355 0.57118 0.63639 1.00000
Sc4 Sc 0.15373 0.11761 0.65889 1.00000
Sc5 Sc 0.87076 0.96746 0.26125 1.00000
Sn1 Sn 0.94885 0.01601 0.92545 1.00000
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