Sm3TmSc3
Alexandria ALEXAlex-ID: agm005907697 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3_323_spg148
Sm SmTm2 Sc
2023-08-06 15:56:11.922794
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005907697).
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 agm005907697
data_agm005907697
_cell_length_a 8.50927
_cell_length_b 8.50928
_cell_length_c 8.50927
_cell_angle_alpha 58.84567
_cell_angle_beta 58.84568
_cell_angle_gamma 58.84568
_cell_volume 424.19318
_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 0.71582 0.56503 0.07090 1.00000
Sm2 Sm 0.07090 0.71582 0.56503 1.00000
Sm3 Sm 0.56503 0.07090 0.71582 1.00000
Sm4 Sm 0.43497 0.92910 0.28418 1.00000
Sm5 Sm 0.92910 0.28418 0.43497 1.00000
Sm6 Sm 0.28418 0.43497 0.92910 1.00000
Tm1 Tm 0.34527 0.34527 0.34527 1.00000
Tm2 Tm 0.65473 0.65473 0.65473 1.00000
Sc1 Sc 0.72320 0.17074 0.93814 1.00000
Sc2 Sc 0.17074 0.93814 0.72320 1.00000
Sc3 Sc 0.93814 0.72320 0.17074 1.00000
Sc4 Sc 0.06186 0.27680 0.82926 1.00000
Sc5 Sc 0.82926 0.06186 0.27680 1.00000
Sc6 Sc 0.27680 0.82926 0.06186 1.00000
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