Tm2ScSb3
Alexandria ALEXAlex-ID: agm040404845 · Space group: Fddd (#70)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_36_spg70
ScSb TmSb
2025-02-26 02:47:57
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm040404845).
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 agm040404845
data_agm040404845
_cell_length_a 14.19605
_cell_length_b 13.53833
_cell_length_c 7.40953
_cell_angle_alpha 79.47136
_cell_angle_beta 69.65440
_cell_angle_gamma 30.87425
_cell_volume 665.06599
_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 0.49880 0.49880 0.00120 1.00000
Tm2 Tm 0.91768 0.91768 0.08232 1.00000
Tm3 Tm 0.33232 0.33232 0.16768 1.00000
Tm4 Tm 0.75120 0.75120 0.24880 1.00000
Tm5 Tm 0.24880 0.24880 0.75120 1.00000
Tm6 Tm 0.16768 0.16768 0.33232 1.00000
Tm7 Tm 0.08232 0.08232 0.91768 1.00000
Tm8 Tm 0.00120 0.00120 0.49880 1.00000
Sc1 Sc 0.41650 0.41650 0.58350 1.00000
Sc2 Sc 0.83350 0.83350 0.66650 1.00000
Sc3 Sc 0.66650 0.66650 0.83350 1.00000
Sc4 Sc 0.58350 0.58350 0.41650 1.00000
Sb1 Sb 0.16448 0.66579 0.34318 1.00000
Sb2 Sb 0.66579 0.16448 0.82654 1.00000
Sb3 Sb 0.08552 0.58421 0.90682 1.00000
Sb4 Sb 0.58421 0.08552 0.42346 1.00000
Sb5 Sb 0.99110 0.50890 0.50890 1.00000
Sb6 Sb 0.50890 0.99110 0.99110 1.00000
Sb7 Sb 0.42346 0.90682 0.58421 1.00000
Sb8 Sb 0.90682 0.42346 0.08552 1.00000
Sb9 Sb 0.82654 0.34318 0.66579 1.00000
Sb10 Sb 0.34318 0.82654 0.16448 1.00000
Sb11 Sb 0.25890 0.74110 0.74110 1.00000
Sb12 Sb 0.74110 0.25890 0.25890 1.00000
