Sm6YTm2Th
Alexandria ALEXAlex-ID: agm004978331 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_695_spg15
Sm2Y Sm Tm2Th
2022-08-06 05:05:57.911803
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004978331).
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 agm004978331
data_agm004978331
_cell_length_a 9.56438
_cell_length_b 8.82930
_cell_length_c 8.82930
_cell_angle_alpha 116.36247
_cell_angle_beta 93.50960
_cell_angle_gamma 93.50960
_cell_volume 663.54585
_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 0.05820 0.11152 0.76409 1.00000
Sm2 Sm 0.44180 0.23591 0.88848 1.00000
Sm3 Sm 0.94180 0.88848 0.23591 1.00000
Sm4 Sm 0.55820 0.76409 0.11152 1.00000
Sm5 Sm 0.31517 0.98894 0.42943 1.00000
Sm6 Sm 0.18483 0.57057 0.01106 1.00000
Sm7 Sm 0.68483 0.01106 0.57057 1.00000
Sm8 Sm 0.81517 0.42943 0.98894 1.00000
Sm9 Sm 0.11747 0.70602 0.48304 1.00000
Sm10 Sm 0.38253 0.51696 0.29398 1.00000
Sm11 Sm 0.88253 0.29398 0.51696 1.00000
Sm12 Sm 0.61747 0.48304 0.70602 1.00000
Y1 Y 0.25000 0.40919 0.59081 1.00000
Y2 Y 0.75000 0.59081 0.40919 1.00000
Tm1 Tm 0.44863 0.79748 0.70300 1.00000
Tm2 Tm 0.05137 0.29700 0.20252 1.00000
Tm3 Tm 0.55137 0.20252 0.29700 1.00000
Tm4 Tm 0.94863 0.70300 0.79748 1.00000
Th1 Th 0.25000 0.96775 0.03225 1.00000
Th2 Th 0.75000 0.03225 0.96775 1.00000
