Sm12YTm6
Alexandria ALEXAlex-ID: agm006111081 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C12_35_spg148
Sm2Y Sm SmTm2
2023-08-30 04:21:03.325133
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006111081).
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 agm006111081
data_agm006111081
_cell_length_a 9.17085
_cell_length_b 9.17085
_cell_length_c 9.17085
_cell_angle_alpha 106.58505
_cell_angle_beta 106.58504
_cell_angle_gamma 106.58505
_cell_volume 649.48759
_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 0.48243 0.19236 0.57947 1.00000
Sm2 Sm 0.19236 0.57947 0.48243 1.00000
Sm3 Sm 0.57947 0.48243 0.19236 1.00000
Sm4 Sm 0.51757 0.80764 0.42053 1.00000
Sm5 Sm 0.80764 0.42053 0.51757 1.00000
Sm6 Sm 0.42053 0.51757 0.80764 1.00000
Sm7 Sm 0.27830 0.13658 0.82748 1.00000
Sm8 Sm 0.17252 0.72170 0.86342 1.00000
Sm9 Sm 0.86342 0.17252 0.72170 1.00000
Sm10 Sm 0.72170 0.86342 0.17252 1.00000
Sm11 Sm 0.82748 0.27830 0.13658 1.00000
Sm12 Sm 0.13658 0.82748 0.27830 1.00000
Y1 Y 0.00000 0.00000 0.00000 1.00000
Tm1 Tm 0.07495 0.18855 0.45736 1.00000
Tm2 Tm 0.81145 0.54264 0.92505 1.00000
Tm3 Tm 0.54264 0.92505 0.81145 1.00000
Tm4 Tm 0.92505 0.81145 0.54264 1.00000
Tm5 Tm 0.18855 0.45736 0.07495 1.00000
Tm6 Tm 0.45736 0.07495 0.18855 1.00000
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