Sc2Ta3Pd2
Alexandria ALEXAlex-ID: agm009372302 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3_21_spg12
Ta ScPd
2024-06-24 11:17:16.084665
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009372302).
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
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# CIF generated by HEAS from Alexandria entry agm009372302
data_agm009372302
_cell_length_a 5.44454
_cell_length_b 5.44454
_cell_length_c 8.89203
_cell_angle_alpha 71.87974
_cell_angle_beta 71.87974
_cell_angle_gamma 32.80983
_cell_volume 135.11020
_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
Sc1 Sc 0.14072 0.14072 0.69955 1.00000
Sc2 Sc 0.85928 0.85928 0.30045 1.00000
Ta1 Ta 0.50000 0.50000 0.50000 1.00000
Ta2 Ta 0.37740 0.37740 0.97443 1.00000
Ta3 Ta 0.62260 0.62260 0.02557 1.00000
Pd1 Pd 0.15049 0.15049 0.27485 1.00000
Pd2 Pd 0.84951 0.84951 0.72515 1.00000
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