LaSc2Pd3
Alexandria ALEXAlex-ID: agm032253105 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_142_spg12
ScPd LaPd
2025-04-14 07:30:25
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm032253105).
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 agm032253105
data_agm032253105
_cell_length_a 8.78752
_cell_length_b 8.78752
_cell_length_c 8.78752
_cell_angle_alpha 148.90108
_cell_angle_beta 133.80069
_cell_angle_gamma 56.74072
_cell_volume 251.18361
_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
La1 La 0.67928 0.67928 0.00000 1.00000
La2 La 0.32072 0.32072 0.00000 1.00000
Sc1 Sc 0.50000 0.00000 0.50000 1.00000
Sc2 Sc 0.00000 0.00000 0.00000 1.00000
Sc3 Sc 0.85445 0.35445 0.50000 1.00000
Sc4 Sc 0.14555 0.64555 0.50000 1.00000
Pd1 Pd 0.25436 0.50000 0.75436 1.00000
Pd2 Pd 0.74564 0.50000 0.24564 1.00000
Pd3 Pd 0.62959 0.85853 0.77106 1.00000
Pd4 Pd 0.91254 0.14147 0.77106 1.00000
Pd5 Pd 0.08746 0.85853 0.22894 1.00000
Pd6 Pd 0.37041 0.14147 0.22894 1.00000
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