Nd4Mg6Pb7
Alexandria ALEXAlex-ID: agm005713680 · Space group: Im-3m (#229)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A4B6C7_12_spg229
NdMgPb2 Mg3Pb NdMgPb
2023-06-30 00:04:59.631495
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005713680).
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 agm005713680
data_agm005713680
_cell_length_a 8.49891
_cell_length_b 8.49891
_cell_length_c 8.49891
_cell_angle_alpha 109.47122
_cell_angle_beta 109.47122
_cell_angle_gamma 109.47122
_cell_volume 472.57144
_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
Nd1 Nd 0.50000 0.00000 0.00000 1.00000
Nd2 Nd 0.50000 0.50000 0.50000 1.00000
Nd3 Nd 0.00000 0.50000 0.00000 1.00000
Nd4 Nd 0.00000 0.00000 0.50000 1.00000
Mg1 Mg 0.69847 0.00000 0.69847 1.00000
Mg2 Mg 0.69847 0.69847 0.00000 1.00000
Mg3 Mg 0.00000 0.30153 0.30153 1.00000
Mg4 Mg 0.30153 0.00000 0.30153 1.00000
Mg5 Mg 0.30153 0.30153 0.00000 1.00000
Mg6 Mg 0.00000 0.69847 0.69847 1.00000
Pb1 Pb 0.75000 0.50000 0.25000 1.00000
Pb2 Pb 0.25000 0.75000 0.50000 1.00000
Pb3 Pb 0.50000 0.75000 0.25000 1.00000
Pb4 Pb 0.75000 0.25000 0.50000 1.00000
Pb5 Pb 0.25000 0.50000 0.75000 1.00000
Pb6 Pb 0.50000 0.25000 0.75000 1.00000
Pb7 Pb 0.00000 0.00000 0.00000 1.00000
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