Tm2Sc(GaPd)3
Alexandria ALEXAlex-ID: agm033239087 · Space group: Amm2 (#38)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D3_28_spg189
ScGaPd TmGaPd
2024-12-29 23:25:18
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm033239087).
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 agm033239087
data_agm033239087
_cell_length_a 7.40114
_cell_length_b 7.40114
_cell_length_c 3.53726
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 119.69491
_cell_volume 168.31499
_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 0.39919 0.99831 0.50000 1.00000
Tm2 Tm 0.99831 0.39919 0.50000 1.00000
Sc1 Sc 0.60198 0.60198 0.50000 1.00000
Ga1 Ga 0.27305 0.27305 0.00000 1.00000
Ga2 Ga 0.73233 0.99237 0.00000 1.00000
Ga3 Ga 0.99237 0.73233 0.00000 1.00000
Pd1 Pd 0.33749 0.66477 0.00000 1.00000
Pd2 Pd 0.66477 0.33749 0.00000 1.00000
Pd3 Pd 0.00071 0.00071 0.50000 1.00000
Get direct link