Np4PPd
Alexandria ALEXAlex-ID: agm015486293 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_30_spg2
Np2P Np NpPd3
2024-08-05 04:25:34.468027
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm015486293).
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 agm015486293
data_agm015486293
_cell_length_a 5.01413
_cell_length_b 6.77401
_cell_length_c 6.83612
_cell_angle_alpha 88.19111
_cell_angle_beta 93.45218
_cell_angle_gamma 96.63953
_cell_volume 230.14719
_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 0.64356 0.24944 0.78594 1.00000
Np2 Np 0.84179 0.55020 0.60783 1.00000
Np3 Np 0.17939 0.58954 0.90553 1.00000
Np4 Np 0.96648 0.91994 0.28090 1.00000
Np5 Np 0.03352 0.08006 0.71910 1.00000
Np6 Np 0.82061 0.41046 0.09447 1.00000
Np7 Np 0.15821 0.44980 0.39217 1.00000
Np8 Np 0.35644 0.75056 0.21406 1.00000
P1 P 0.71091 0.78944 0.92760 1.00000
P2 P 0.28909 0.21056 0.07240 1.00000
Pd1 Pd 0.44384 0.83937 0.61605 1.00000
Pd2 Pd 0.55616 0.16063 0.38395 1.00000
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