Nd5Zn2Pb5
Alexandria ALEXAlex-ID: agm005661106 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C5_18_spg12
NdZnPb NdPb
2023-06-19 14:23:59.198310
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005661106).
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 agm005661106
data_agm005661106
_cell_length_a 4.68172
_cell_length_b 8.66850
_cell_length_c 9.22958
_cell_angle_alpha 79.09966
_cell_angle_beta 75.30780
_cell_angle_gamma 74.33322
_cell_volume 345.92245
_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 0.50000 0.50000 1.00000
Nd2 Nd 0.39461 0.29662 0.91416 1.00000
Nd3 Nd 0.30622 0.06171 0.32585 1.00000
Nd4 Nd 0.69378 0.93829 0.67415 1.00000
Nd5 Nd 0.60539 0.70338 0.08584 1.00000
Zn1 Zn 0.86379 0.54389 0.72854 1.00000
Zn2 Zn 0.13621 0.45611 0.27146 1.00000
Pb1 Pb 0.93327 0.77131 0.36216 1.00000
Pb2 Pb 0.24499 0.68707 0.82295 1.00000
Pb3 Pb 0.75501 0.31293 0.17705 1.00000
Pb4 Pb 0.06673 0.22869 0.63784 1.00000
Pb5 Pb 0.00000 0.00000 0.00000 1.00000
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