Sc3InPd5
Alexandria ALEXAlex-ID: agm005975111 · Space group: P6_3/mcm (#193)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C5_128_spg193
ScPd2 Sc3Pd4 ScInPd2
2023-08-01 07:12:23.924156
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005975111).
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 agm005975111
data_agm005975111
_cell_length_a 5.68900
_cell_length_b 8.05202
_cell_length_c 8.05225
_cell_angle_alpha 119.99907
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 319.44216
_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 0.75000 0.36044 0.36047 1.00000
Sc2 Sc 0.75000 0.99997 0.63953 1.00000
Sc3 Sc 0.75000 0.63952 0.00000 1.00000
Sc4 Sc 0.25000 0.63956 0.63953 1.00000
Sc5 Sc 0.25000 0.00003 0.36047 1.00000
Sc6 Sc 0.25000 0.36048 1.00000 1.00000
In1 In 0.00000 0.00000 0.00000 1.00000
In2 In 0.50000 0.00000 0.00000 1.00000
Pd1 Pd 0.00000 0.66667 0.33334 1.00000
Pd2 Pd 0.50000 0.33333 0.66666 1.00000
Pd3 Pd 0.00000 0.33333 0.66666 1.00000
Pd4 Pd 0.50000 0.66667 0.33334 1.00000
Pd5 Pd 0.75000 0.68445 0.68448 1.00000
Pd6 Pd 0.75000 0.99997 0.31552 1.00000
Pd7 Pd 0.75000 0.31550 0.00000 1.00000
Pd8 Pd 0.25000 0.31555 0.31552 1.00000
Pd9 Pd 0.25000 0.00003 0.68448 1.00000
Pd10 Pd 0.25000 0.68450 1.00000 1.00000
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