Na7(InPb)2
Alexandria ALEXAlex-ID: agm003321187 · Space group: Imm2 (#44)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C7_230_spg44
Na5Pb2 NaIn
2022-01-22 11:34:47.736414
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003321187).
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 agm003321187
data_agm003321187
_cell_length_a 5.33352
_cell_length_b 8.70632
_cell_length_c 8.70632
_cell_angle_alpha 59.45293
_cell_angle_beta 72.16350
_cell_angle_gamma 72.16350
_cell_volume 325.79487
_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 0.84891 0.05860 0.24358 1.00000
Na2 Na 0.85389 0.47683 0.81539 1.00000
Na3 Na 0.50000 0.93254 0.06746 1.00000
Na4 Na 0.65181 0.46741 0.22898 1.00000
Na5 Na 0.34819 0.77102 0.53259 1.00000
Na6 Na 0.15109 0.75642 0.94140 1.00000
Na7 Na 0.14611 0.18461 0.52317 1.00000
In1 In 0.00000 0.61443 0.38557 1.00000
In2 In 0.50000 0.33446 0.66554 1.00000
Pb1 Pb 0.69187 0.93691 0.67935 1.00000
Pb2 Pb 0.30813 0.32065 0.06309 1.00000
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