In8Ni4Pb
Alexandria ALEXAlex-ID: agm098016014 · Space group: P31m (#157)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_1282_spg1
In3Ni2 In Pb
2025-06-17 07:31:16
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm098016014).
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 agm098016014
data_agm098016014
_cell_length_a 5.31529
_cell_length_b 7.74015
_cell_length_c 7.74013
_cell_angle_alpha 59.99558
_cell_angle_beta 89.99897
_cell_angle_gamma 90.00041
_cell_volume 275.76314
_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
In1 In 0.78173 0.99989 0.33872 1.00000
In2 In 0.78103 0.66135 0.99997 1.00000
In3 In 0.10773 0.66644 0.66684 1.00000
In4 In 0.78075 0.33875 0.66132 1.00000
In5 In 0.44022 0.64899 0.35117 1.00000
In6 In 0.10746 0.33346 0.33339 1.00000
In7 In 0.44038 0.35097 0.00052 1.00000
In8 In 0.44033 0.99997 0.64843 1.00000
Ni1 Ni 0.65717 0.99999 0.00014 1.00000
Ni2 Ni 0.93582 0.32993 0.99997 1.00000
Ni3 Ni 0.93571 0.67009 0.32987 1.00000
Ni4 Ni 0.93570 0.00002 0.67006 1.00000
Pb1 Pb 0.15597 0.00015 0.99960 1.00000
Get direct link