Sm4Tm3Th2
Alexandria ALEXAlex-ID: agm005652679 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_295_spg15
Sm5(TmTh)2 Tm2Th Sm
2023-06-28 21:10:38.654755
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005652679).
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 agm005652679
data_agm005652679
_cell_length_a 6.15488
_cell_length_b 9.99641
_cell_length_c 9.99641
_cell_angle_alpha 72.23789
_cell_angle_beta 83.96367
_cell_angle_gamma 83.96370
_cell_volume 580.74344
_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
Sm1 Sm 0.51580 0.08821 0.81125 1.00000
Sm2 Sm 0.98420 0.18875 0.91179 1.00000
Sm3 Sm 0.48420 0.91179 0.18875 1.00000
Sm4 Sm 0.01580 0.81125 0.08821 1.00000
Sm5 Sm 0.65425 0.85121 0.58107 1.00000
Sm6 Sm 0.84575 0.41893 0.14879 1.00000
Sm7 Sm 0.34575 0.14879 0.41893 1.00000
Sm8 Sm 0.15425 0.58107 0.85121 1.00000
Tm1 Tm 0.08306 0.93884 0.72334 1.00000
Tm2 Tm 0.41694 0.27666 0.06116 1.00000
Tm3 Tm 0.91694 0.06116 0.27666 1.00000
Tm4 Tm 0.58306 0.72334 0.93884 1.00000
Tm5 Tm 0.25000 0.39269 0.60731 1.00000
Tm6 Tm 0.75000 0.60731 0.39269 1.00000
Th1 Th 0.18796 0.74937 0.47048 1.00000
Th2 Th 0.31204 0.52952 0.25063 1.00000
Th3 Th 0.81204 0.25063 0.52952 1.00000
Th4 Th 0.68796 0.47048 0.74937 1.00000
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