Sc(NiPb2)4
Alexandria ALEXAlex-ID: agm098090547 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_830_spg1
Sc2Ni7 Pb Ni
2025-06-22 13:40:18
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm098090547).
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 agm098090547
data_agm098090547
_cell_length_a 3.52305
_cell_length_b 9.33319
_cell_length_c 10.24211
_cell_angle_alpha 69.11830
_cell_angle_beta 90.11103
_cell_angle_gamma 100.92239
_cell_volume 308.16274
_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 0.67141 0.95488 0.96372 1.00000
Ni1 Ni 0.08673 0.78928 0.88320 1.00000
Ni2 Ni 0.93974 0.49449 0.90935 1.00000
Ni3 Ni 0.99408 0.60370 0.51976 1.00000
Ni4 Ni 0.13393 0.88238 0.49867 1.00000
Pb1 Pb 0.74764 0.11245 0.35181 1.00000
Pb2 Pb 0.48446 0.58292 0.07304 1.00000
Pb3 Pb 0.53725 0.68919 0.69842 1.00000
Pb4 Pb 0.85649 0.32677 0.73183 1.00000
Pb5 Pb 0.10073 0.82400 0.25834 1.00000
Pb6 Pb 0.41428 0.44589 0.41577 1.00000
Pb7 Pb 0.31318 0.23913 0.03087 1.00000
Pb8 Pb 0.22009 0.05492 0.66522 1.00000
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