Tm5Th2Sc5
Alexandria ALEXAlex-ID: agm005667151 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C5_47_spg12
Tm(ThSc3)2 Tm Tm2Th
2023-06-19 07:35:27.387799
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005667151).
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 agm005667151
data_agm005667151
_cell_length_a 5.52775
_cell_length_b 11.61454
_cell_length_c 6.16792
_cell_angle_alpha 90.80880
_cell_angle_beta 63.37782
_cell_angle_gamma 76.23343
_cell_volume 340.50069
_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
Tm1 Tm 0.67973 0.23901 0.40153 1.00000
Tm2 Tm 0.99635 0.25954 0.74775 1.00000
Tm3 Tm 0.00365 0.74046 0.25225 1.00000
Tm4 Tm 0.32027 0.76099 0.59847 1.00000
Tm5 Tm 0.00000 0.00000 0.00000 1.00000
Th1 Th 0.34737 0.48945 0.81580 1.00000
Th2 Th 0.65263 0.51055 0.18420 1.00000
Sc1 Sc 0.00000 0.50000 0.50000 1.00000
Sc2 Sc 0.64721 0.77113 0.93446 1.00000
Sc3 Sc 0.31943 0.00880 0.35234 1.00000
Sc4 Sc 0.68057 0.99120 0.64766 1.00000
Sc5 Sc 0.35279 0.22887 0.06554 1.00000
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