Na2In4Pb5
Alexandria ALEXAlex-ID: agm003365026 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_149_spg12
NaIn2 NaPb3 In
2022-02-05 10:17:05.019880
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003365026).
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 agm003365026
data_agm003365026
_cell_length_a 6.86409
_cell_length_b 8.94402
_cell_length_c 6.87435
_cell_angle_alpha 78.56251
_cell_angle_beta 60.04937
_cell_angle_gamma 67.43539
_cell_volume 337.66867
_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 0.27442 0.79917 0.65199 1.00000
Na2 Na 0.72558 0.20083 0.34801 1.00000
In1 In 0.27415 0.14519 0.30652 1.00000
In2 In 0.72585 0.85481 0.69348 1.00000
In3 In 0.72414 0.51410 0.03761 1.00000
In4 In 0.27586 0.48590 0.96239 1.00000
Pb1 Pb 0.23933 0.17467 0.82230 1.00000
Pb2 Pb 0.76067 0.82533 0.17770 1.00000
Pb3 Pb 0.00000 0.50000 0.50000 1.00000
Pb4 Pb 0.76370 0.17467 0.82230 1.00000
Pb5 Pb 0.23630 0.82533 0.17770 1.00000
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