Na2In4Pb9
Alexandria ALEXAlex-ID: agm005645192 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C9_150_spg2
NaPb3 Pb In
2023-06-15 21:46:18.545515
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005645192).
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 agm005645192
data_agm005645192
_cell_length_a 9.67561
_cell_length_b 11.48308
_cell_length_c 12.74323
_cell_angle_alpha 122.97696
_cell_angle_beta 101.73840
_cell_angle_gamma 50.79098
_cell_volume 898.51487
_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 0.94446 0.00080 0.30372 1.00000
Na2 Na 0.15848 0.00073 0.10007 1.00000
Na3 Na 0.05554 0.99920 0.69628 1.00000
Na4 Na 0.84152 0.99927 0.89993 1.00000
In1 In 0.38239 0.33589 0.03426 1.00000
In2 In 0.48033 0.33662 0.43599 1.00000
In3 In 0.61761 0.66411 0.96574 1.00000
In4 In 0.18380 0.33734 0.23442 1.00000
In5 In 0.51967 0.66338 0.56401 1.00000
In6 In 0.71745 0.66470 0.36837 1.00000
In7 In 0.28255 0.33530 0.63163 1.00000
In8 In 0.81620 0.66266 0.76558 1.00000
Pb1 Pb 0.08356 0.33890 0.83620 1.00000
Pb2 Pb 0.32233 0.66316 0.76394 1.00000
Pb3 Pb 0.54669 0.99525 0.69737 1.00000
Pb4 Pb 0.91644 0.66110 0.16380 1.00000
Pb5 Pb 0.67767 0.33684 0.23606 1.00000
Pb6 Pb 0.45331 0.00475 0.30263 1.00000
Pb7 Pb 0.74746 0.99282 0.49907 1.00000
Pb8 Pb 0.98160 0.33967 0.43408 1.00000
Pb9 Pb 0.22173 0.66111 0.36611 1.00000
Pb10 Pb 0.64285 0.99996 0.09889 1.00000
Pb11 Pb 0.42459 0.66183 0.16640 1.00000
Pb12 Pb 0.88334 0.33530 0.03583 1.00000
Pb13 Pb 0.25254 0.00718 0.50093 1.00000
Pb14 Pb 0.01840 0.66033 0.56592 1.00000
Pb15 Pb 0.77827 0.33889 0.63389 1.00000
Pb16 Pb 0.35715 0.00004 0.90111 1.00000
Pb17 Pb 0.57541 0.33817 0.83360 1.00000
Pb18 Pb 0.11666 0.66470 0.96417 1.00000
