TmSc2Pd3
Alexandria ALEXAlex-ID: agm005679724 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_906_spg65
TmSc4Pd5 TmPd
2023-08-29 21:30:06.966386
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005679724).
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 agm005679724
data_agm005679724
_cell_length_a 4.80868
_cell_length_b 7.59065
_cell_length_c 6.58768
_cell_angle_alpha 90.00411
_cell_angle_beta 90.01299
_cell_angle_gamma 71.53349
_cell_volume 228.07559
_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 0.33488 0.33023 0.00000 1.00000
Tm2 Tm 0.66512 0.66977 0.00000 1.00000
Sc1 Sc 0.00000 0.00000 0.00000 1.00000
Sc2 Sc 0.00000 0.00000 0.50000 1.00000
Sc3 Sc 0.33270 0.33459 0.50000 1.00000
Sc4 Sc 0.66730 0.66541 0.50000 1.00000
Pd1 Pd 0.83752 0.32514 0.73965 1.00000
Pd2 Pd 0.49948 0.00000 0.25800 1.00000
Pd3 Pd 0.16248 0.67486 0.26035 1.00000
Pd4 Pd 0.83733 0.32514 0.26035 1.00000
Pd5 Pd 0.16267 0.67486 0.73965 1.00000
Pd6 Pd 0.50052 0.00000 0.74200 1.00000
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