ScH8Pd4Pb
Alexandria ALEXAlex-ID: agm006826041 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4D8_463_spg5
Sc(HPd)4 H2Pd3Pb ScH3 H6Pb
2025-05-29 09:11:46
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006826041).
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 agm006826041
data_agm006826041
_cell_length_a 5.09380
_cell_length_b 4.53785
_cell_length_c 7.93225
_cell_angle_alpha 74.00061
_cell_angle_beta 78.52637
_cell_angle_gamma 63.57342
_cell_volume 157.21332
_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 0.00075 0.89390 0.24992 1.00000
H1 H 0.60740 0.84346 0.20167 1.00000
H2 H 0.11144 0.68126 0.01752 1.00000
H3 H 0.88776 0.57083 0.48406 1.00000
H4 H 0.88187 0.11122 0.47802 1.00000
H5 H 0.11800 0.21125 0.01953 1.00000
H6 H 0.65681 0.40839 0.92910 1.00000
H7 H 0.39358 0.40393 0.29888 1.00000
H8 H 0.33286 0.75565 0.57013 1.00000
Pd1 Pd 0.40741 0.27433 0.08349 1.00000
Pd2 Pd 0.19396 0.18484 0.46671 1.00000
Pd3 Pd 0.59095 0.52271 0.41818 1.00000
Pd4 Pd 0.80577 0.58546 0.03442 1.00000
Pb1 Pb 0.51144 0.05275 0.74836 1.00000
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