Tm3ThSc2
Alexandria ALEXAlex-ID: agm005662931 · Space group: P4_132 (#213)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_752_spg212
Tm(ThSc3)2 Tm Tm2Th
2023-08-24 18:31:40.707530
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005662931).
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 agm005662931
data_agm005662931
_cell_length_a 8.95603
_cell_length_b 8.95603
_cell_length_c 8.95603
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 718.36858
_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 0.62500 0.38622 0.63622 1.00000
Tm2 Tm 0.61378 0.13622 0.87500 1.00000
Tm3 Tm 0.63622 0.62500 0.38622 1.00000
Tm4 Tm 0.86378 0.37500 0.88622 1.00000
Tm5 Tm 0.38622 0.63622 0.62500 1.00000
Tm6 Tm 0.36378 0.12500 0.11378 1.00000
Tm7 Tm 0.13622 0.87500 0.61378 1.00000
Tm8 Tm 0.88622 0.86378 0.37500 1.00000
Tm9 Tm 0.11378 0.36378 0.12500 1.00000
Tm10 Tm 0.87500 0.61378 0.13622 1.00000
Tm11 Tm 0.37500 0.88622 0.86378 1.00000
Tm12 Tm 0.12500 0.11378 0.36378 1.00000
Th1 Th 0.87500 0.12500 0.62500 1.00000
Th2 Th 0.12500 0.62500 0.87500 1.00000
Th3 Th 0.62500 0.87500 0.12500 1.00000
Th4 Th 0.37500 0.37500 0.37500 1.00000
Sc1 Sc 0.49039 0.50961 0.00961 1.00000
Sc2 Sc 0.75961 0.75961 0.75961 1.00000
Sc3 Sc 0.00961 0.49039 0.50961 1.00000
Sc4 Sc 0.50961 0.00961 0.49039 1.00000
Sc5 Sc 0.25961 0.74039 0.24039 1.00000
Sc6 Sc 0.74039 0.24039 0.25961 1.00000
Sc7 Sc 0.24039 0.25961 0.74039 1.00000
Sc8 Sc 0.99039 0.99039 0.99039 1.00000
