Sm5Tm
Alexandria ALEXAlex-ID: agm024303128 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5_1718_spg129
SmTm2 Sm
2025-02-26 03:51:42
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024303128).
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 agm024303128
data_agm024303128
_cell_length_a 17.53475
_cell_length_b 17.53475
_cell_length_c 6.24045
_cell_angle_alpha 86.57277
_cell_angle_beta 93.42723
_cell_angle_gamma 168.02755
_cell_volume 397.30497
_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 0.24896 0.75104 0.75000 1.00000
Sm2 Sm 0.75104 0.24896 0.25000 1.00000
Sm3 Sm 0.58415 0.41585 0.19455 1.00000
Sm4 Sm 0.00000 0.00000 0.00000 1.00000
Sm5 Sm 0.41585 0.58415 0.80545 1.00000
Sm6 Sm 0.91493 0.08507 0.30528 1.00000
Sm7 Sm 0.08507 0.91493 0.69472 1.00000
Sm8 Sm 0.50000 0.50000 0.50000 1.00000
Sm9 Sm 0.16719 0.83281 0.38666 1.00000
Sm10 Sm 0.83281 0.16719 0.61334 1.00000
Tm1 Tm 0.66715 0.33285 0.88926 1.00000
Tm2 Tm 0.33285 0.66715 0.11074 1.00000
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