Sm3Y8Tm3
Alexandria ALEXAlex-ID: agm005690245 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B3C8_31_spg71
Y5Tm SmY2 YTm2
2023-06-29 11:52:27.173590
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005690245).
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 agm005690245
data_agm005690245
_cell_length_a 5.65382
_cell_length_b 9.65782
_cell_length_c 9.65782
_cell_angle_alpha 101.71226
_cell_angle_beta 72.97887
_cell_angle_gamma 72.97886
_cell_volume 457.49938
_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 0.50000 0.00000 0.00000 1.00000
Sm2 Sm 1.00000 0.81954 0.18046 1.00000
Sm3 Sm 0.00000 0.18046 0.81954 1.00000
Y1 Y 0.65876 0.11981 0.56240 1.00000
Y2 Y 0.34124 0.88019 0.43760 1.00000
Y3 Y 0.65876 0.56240 0.11981 1.00000
Y4 Y 0.34124 0.43760 0.88019 1.00000
Y5 Y 0.84198 0.76073 0.55545 1.00000
Y6 Y 0.15802 0.23927 0.44455 1.00000
Y7 Y 0.84198 0.55545 0.76073 1.00000
Y8 Y 0.15802 0.44455 0.23927 1.00000
Tm1 Tm 0.50000 0.50000 0.50000 1.00000
Tm2 Tm 0.79675 0.20341 0.20341 1.00000
Tm3 Tm 0.20325 0.79659 0.79659 1.00000
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