SmTm5Th2
Alexandria ALEXAlex-ID: agm003476845 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C5_188_spg71
Tm2Th Sm SmTm2
2022-02-23 03:45:21.011312
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003476845).
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 agm003476845
data_agm003476845
_cell_length_a 3.49229
_cell_length_b 8.77099
_cell_length_c 8.77099
_cell_angle_alpha 78.36400
_cell_angle_beta 78.51671
_cell_angle_gamma 78.51671
_cell_volume 254.31463
_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 0.00000 0.00000 0.00000 1.00000
Tm1 Tm 0.00000 0.50000 0.50000 1.00000
Tm2 Tm 0.63094 0.59826 0.13985 1.00000
Tm3 Tm 0.36906 0.40174 0.86015 1.00000
Tm4 Tm 0.36906 0.86015 0.40174 1.00000
Tm5 Tm 0.63094 0.13985 0.59826 1.00000
Th1 Th 0.73953 0.76047 0.76047 1.00000
Th2 Th 0.26047 0.23953 0.23953 1.00000
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