Tm2Th3Sc
Alexandria ALEXAlex-ID: agm005678600 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2493_spg11
Tm(ThSc3)2 Tm2Th Th
2023-08-24 23:02:01.199005
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005678600).
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 agm005678600
data_agm005678600
_cell_length_a 7.00921
_cell_length_b 10.44796
_cell_length_c 6.05684
_cell_angle_alpha 124.89636
_cell_angle_beta 89.99550
_cell_angle_gamma 90.00302
_cell_volume 363.79770
_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 0.74999 0.50328 0.50527 1.00000
Tm2 Tm 0.25001 0.49672 0.49473 1.00000
Tm3 Tm 0.25007 0.83433 0.17068 1.00000
Tm4 Tm 0.74993 0.16567 0.82932 1.00000
Th1 Th 0.00054 0.16402 0.33077 1.00000
Th2 Th 0.50065 0.83600 0.66916 1.00000
Th3 Th 0.00000 0.50000 0.00000 1.00000
Th4 Th 0.50000 0.50000 0.00000 1.00000
Th5 Th 0.99946 0.83598 0.66923 1.00000
Th6 Th 0.49935 0.16400 0.33084 1.00000
Sc1 Sc 0.24992 0.16875 0.83404 1.00000
Sc2 Sc 0.75008 0.83125 0.16596 1.00000
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