Na2Mg4Pb3
Alexandria ALEXAlex-ID: agm005643174 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_1180_spg12
Mg2Pb NaMgPb
2023-06-30 20:41:31.702785
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005643174).
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 agm005643174
data_agm005643174
_cell_length_a 5.17203
_cell_length_b 5.18128
_cell_length_c 11.26173
_cell_angle_alpha 81.86619
_cell_angle_beta 85.49781
_cell_angle_gamma 121.37419
_cell_volume 250.90353
_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 0.21993 0.54572 0.23686 1.00000
Na2 Na 0.78007 0.45428 0.76314 1.00000
Mg1 Mg 0.63151 0.29001 0.08036 1.00000
Mg2 Mg 0.19344 0.21002 0.59335 1.00000
Mg3 Mg 0.80656 0.78998 0.40665 1.00000
Mg4 Mg 0.36849 0.70999 0.91964 1.00000
Pb1 Pb 0.50791 0.84995 0.63830 1.00000
Pb2 Pb 0.00000 0.00000 0.00000 1.00000
Pb3 Pb 0.49209 0.15005 0.36170 1.00000
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