NaGePb
Alexandria ALEXAlex-ID: agm005633482 · Space group: R3m (#160)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_840_spg160
NaGe NaPb3 Ge
2023-06-19 11:17:16.384196
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005633482).
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
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# CIF generated by HEAS from Alexandria entry agm005633482
data_agm005633482
_cell_length_a 4.01504
_cell_length_b 4.00573
_cell_length_c 12.64839
_cell_angle_alpha 80.48192
_cell_angle_beta 80.82280
_cell_angle_gamma 59.89792
_cell_volume 172.86758
_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 0.45119 0.07477 0.72444 1.00000
Na2 Na 0.58835 0.20737 0.31704 1.00000
Ge1 Ge 0.84043 0.46259 0.55802 1.00000
Ge2 Ge 0.19929 0.81960 0.48301 1.00000
Pb1 Pb 0.32629 0.94186 0.10602 1.00000
Pb2 Pb 0.04819 0.67287 0.93259 1.00000
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