Tb4SmSc7
Alexandria ALEXAlex-ID: agm003668023 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C7_85_spg12
Tb5Sm Tb2Sm Sc
2022-04-20 14:24:39.873940
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003668023).
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 agm003668023
data_agm003668023
_cell_length_a 5.56970
_cell_length_b 11.15107
_cell_length_c 6.35487
_cell_angle_alpha 84.62185
_cell_angle_beta 64.00947
_cell_angle_gamma 75.53798
_cell_volume 343.47490
_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 0.63414 0.22463 0.50708 1.00000
Tb2 Tb 0.36586 0.77537 0.49292 1.00000
Tb3 Tb 0.71838 0.69555 0.86770 1.00000
Tb4 Tb 0.28162 0.30445 0.13230 1.00000
Sm1 Sm 0.00000 0.00000 0.00000 1.00000
Sc1 Sc 0.79001 0.91882 0.50115 1.00000
Sc2 Sc 0.20999 0.08118 0.49885 1.00000
Sc3 Sc 0.04171 0.63083 0.28574 1.00000
Sc4 Sc 0.95829 0.36917 0.71426 1.00000
Sc5 Sc 0.35943 0.51349 0.76764 1.00000
Sc6 Sc 0.50000 0.00000 0.00000 1.00000
Sc7 Sc 0.64057 0.48651 0.23236 1.00000
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