Np(PdPb3)4
Alexandria ALEXAlex-ID: agm099634497 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C12_1761_spg1
PdPb4 NpPd3 Np
2025-04-22 13:22:09
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm099634497).
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 agm099634497
data_agm099634497
_cell_length_a 6.29256
_cell_length_b 7.23403
_cell_length_c 10.26288
_cell_angle_alpha 92.64482
_cell_angle_beta 97.25580
_cell_angle_gamma 96.84537
_cell_volume 459.23883
_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
Np1 Np 0.64092 0.29104 0.56768 1.00000
Pd1 Pd 0.18310 0.04908 0.03434 1.00000
Pd2 Pd 0.29954 0.82126 0.47312 1.00000
Pd3 Pd 0.17342 0.47428 0.04468 1.00000
Pd4 Pd 0.94346 0.50916 0.43316 1.00000
Pb1 Pb 0.39118 0.98483 0.75446 1.00000
Pb2 Pb 0.46068 0.05947 0.28316 1.00000
Pb3 Pb 0.26897 0.54173 0.67352 1.00000
Pb4 Pb 0.43731 0.53172 0.30930 1.00000
Pb5 Pb 0.53971 0.33517 0.97181 1.00000
Pb6 Pb 0.09470 0.14979 0.49617 1.00000
Pb7 Pb 0.49882 0.78821 0.03019 1.00000
Pb8 Pb 0.76109 0.79837 0.56445 1.00000
Pb9 Pb 0.95646 0.20394 0.82753 1.00000
Pb10 Pb 0.92411 0.24601 0.19484 1.00000
Pb11 Pb 0.94092 0.70899 0.87571 1.00000
Pb12 Pb 0.98561 0.75694 0.21586 1.00000
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