Na4In5Pb3
Alexandria ALEXAlex-ID: agm005701596 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C5_50_spg12
NaIn2 NaPb3 NaPb
2023-06-29 14:00:36.586664
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005701596).
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 agm005701596
data_agm005701596
_cell_length_a 5.82328
_cell_length_b 8.64055
_cell_length_c 8.64402
_cell_angle_alpha 100.83154
_cell_angle_beta 70.32023
_cell_angle_gamma 70.30116
_cell_volume 362.58920
_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
Na1 Na 0.99764 0.26569 0.73904 1.00000
Na2 Na 0.17259 0.77141 0.88342 1.00000
Na3 Na 0.82741 0.22859 0.11658 1.00000
Na4 Na 0.00236 0.73431 0.26096 1.00000
In1 In 0.64420 0.92380 0.78779 1.00000
In2 In 0.50000 0.50000 0.50000 1.00000
In3 In 0.33884 0.35977 0.96255 1.00000
In4 In 0.66116 0.64023 0.03745 1.00000
In5 In 0.35580 0.07620 0.21221 1.00000
Pb1 Pb 0.31710 0.87298 0.49282 1.00000
Pb2 Pb 0.00000 0.50000 0.50000 1.00000
Pb3 Pb 0.68290 0.12702 0.50718 1.00000
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