Mg3Np3Pb2
Alexandria ALEXAlex-ID: agm010021896 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C3_131_spg63
Mg2Pb Np MgPb
2024-05-30 02:21:13.346505
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010021896).
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 agm010021896
data_agm010021896
_cell_length_a 5.80652
_cell_length_b 5.80652
_cell_length_c 20.94389
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 145.05039
_cell_volume 404.51538
_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
Mg1 Mg 0.86104 0.13896 0.95757 1.00000
Mg2 Mg 0.13896 0.86104 0.45757 1.00000
Mg3 Mg 0.86104 0.13896 0.54243 1.00000
Mg4 Mg 0.13896 0.86104 0.04243 1.00000
Mg5 Mg 0.13343 0.86657 0.75000 1.00000
Mg6 Mg 0.86657 0.13343 0.25000 1.00000
Np1 Np 0.43043 0.56957 0.82542 1.00000
Np2 Np 0.56957 0.43043 0.32542 1.00000
Np3 Np 0.43043 0.56957 0.67458 1.00000
Np4 Np 0.56957 0.43043 0.17458 1.00000
Np5 Np 0.86133 0.13867 0.75000 1.00000
Np6 Np 0.13867 0.86133 0.25000 1.00000
Pb1 Pb 0.85499 0.14501 0.39730 1.00000
Pb2 Pb 0.14501 0.85499 0.89730 1.00000
Pb3 Pb 0.85499 0.14501 0.10270 1.00000
Pb4 Pb 0.14501 0.85499 0.60270 1.00000
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