Tb7Sm4Sc
Alexandria ALEXAlex-ID: agm003668022 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C7_103_spg12
Tb2Sm Sm Sc
2022-04-27 23:28:05.679758
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003668022).
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 agm003668022
data_agm003668022
_cell_length_a 5.34407
_cell_length_b 13.28564
_cell_length_c 6.29098
_cell_angle_alpha 94.61198
_cell_angle_beta 64.86576
_cell_angle_gamma 78.39743
_cell_volume 389.11449
_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 0.83556 0.89727 0.43161 1.00000
Tb2 Tb 0.16444 0.10273 0.56839 1.00000
Tb3 Tb 0.95869 0.62922 0.45340 1.00000
Tb4 Tb 0.04131 0.37078 0.54660 1.00000
Tb5 Tb 0.32628 0.53486 0.81258 1.00000
Tb6 Tb 0.50000 0.00000 0.00000 1.00000
Tb7 Tb 0.67372 0.46514 0.18742 1.00000
Sm1 Sm 0.74652 0.21684 0.29013 1.00000
Sm2 Sm 0.25348 0.78316 0.70987 1.00000
Sm3 Sm 0.58751 0.73568 0.08930 1.00000
Sm4 Sm 0.41249 0.26432 0.91070 1.00000
Sc1 Sc 0.00000 0.00000 0.00000 1.00000
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