Sc(InPd4)2
Alexandria ALEXAlex-ID: agm012995207 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_450_spg12
Sc4InPd15 InPd2 InPd3
2024-06-01 15:11:06.353717
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm012995207).
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 agm012995207
data_agm012995207
_cell_length_a 4.95405
_cell_length_b 4.99445
_cell_length_c 7.52836
_cell_angle_alpha 89.98907
_cell_angle_beta 95.21787
_cell_angle_gamma 100.03216
_cell_volume 182.64068
_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 0.00000 0.50000 0.00000 1.00000
In1 In 0.66439 0.77582 0.55742 1.00000
In2 In 0.33561 0.22418 0.44258 1.00000
Pd1 Pd 0.45111 0.40460 0.81809 1.00000
Pd2 Pd 0.09595 0.68330 0.36416 1.00000
Pd3 Pd 0.19447 0.86627 0.73364 1.00000
Pd4 Pd 0.27329 0.04526 0.08730 1.00000
Pd5 Pd 0.80553 0.13373 0.26636 1.00000
Pd6 Pd 0.90405 0.31670 0.63584 1.00000
Pd7 Pd 0.54889 0.59540 0.18191 1.00000
Pd8 Pd 0.72671 0.95474 0.91270 1.00000
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