TbSm2Dy5Th
Alexandria ALEXAlex-ID: agm005166708 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_252_spg36
SmTh4 Tb2Th3 Tb(SmDy3)2 Sm
2023-01-19 13:52:02.720335
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005166708).
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 agm005166708
data_agm005166708
_cell_length_a 5.71902
_cell_length_b 11.14076
_cell_length_c 9.77132
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 104.87262
_cell_volume 601.71495
_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 0.80936 0.61872 0.51716 1.00000
Tb2 Tb 0.19064 0.38128 0.01716 1.00000
Sm1 Sm 0.88495 0.76989 0.82827 1.00000
Sm2 Sm 0.12979 0.25957 0.71115 1.00000
Sm3 Sm 0.11505 0.23011 0.32827 1.00000
Sm4 Sm 0.87021 0.74043 0.21115 1.00000
Dy1 Dy 0.39776 0.79553 0.04156 1.00000
Dy2 Dy 0.72895 0.45790 0.82642 1.00000
Dy3 Dy 0.46971 0.93942 0.74195 1.00000
Dy4 Dy 0.30531 0.61061 0.71632 1.00000
Dy5 Dy 0.98544 0.97088 0.51653 1.00000
Dy6 Dy 0.60224 0.20447 0.54156 1.00000
Dy7 Dy 0.27105 0.54210 0.32642 1.00000
Dy8 Dy 0.53029 0.06058 0.24195 1.00000
Dy9 Dy 0.69469 0.38939 0.21632 1.00000
Dy10 Dy 0.01456 0.02912 0.01653 1.00000
Th1 Th 0.59482 0.18964 0.92460 1.00000
Th2 Th 0.40518 0.81036 0.42460 1.00000
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