TmTh4Sc7
Alexandria ALEXAlex-ID: agm003668047 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C7_85_spg12
Tm(ThSc3)2 Th Sc
2022-04-20 14:24:29.844865
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003668047).
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 agm003668047
data_agm003668047
_cell_length_a 5.55688
_cell_length_b 11.10132
_cell_length_c 6.34439
_cell_angle_alpha 85.42448
_cell_angle_beta 64.02769
_cell_angle_gamma 75.50591
_cell_volume 340.45161
_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 0.00000 0.00000 0.00000 1.00000
Th1 Th 0.62568 0.22759 0.52106 1.00000
Th2 Th 0.37432 0.77241 0.47894 1.00000
Th3 Th 0.70086 0.70664 0.89165 1.00000
Th4 Th 0.29914 0.29336 0.10835 1.00000
Sc1 Sc 0.79150 0.91578 0.50122 1.00000
Sc2 Sc 0.20850 0.08422 0.49878 1.00000
Sc3 Sc 0.03854 0.62613 0.29679 1.00000
Sc4 Sc 0.96146 0.37387 0.70321 1.00000
Sc5 Sc 0.35842 0.51304 0.77012 1.00000
Sc6 Sc 0.50000 0.00000 0.00000 1.00000
Sc7 Sc 0.64158 0.48696 0.22988 1.00000
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