Np5(GaPd)2
Alexandria ALEXAlex-ID: agm010053993 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_1934_spg1
GaPd Np
2024-03-26 05:05:13.531479
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010053993).
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 agm010053993
data_agm010053993
_cell_length_a 5.36856
_cell_length_b 8.41599
_cell_length_c 8.01072
_cell_angle_alpha 109.93591
_cell_angle_beta 98.16708
_cell_angle_gamma 94.44277
_cell_volume 333.70105
_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 0.78592 0.90279 0.38819 1.00000
Np2 Np 0.83336 0.20666 0.41420 1.00000
Np3 Np 0.34683 0.15538 0.38645 1.00000
Np4 Np 0.92372 0.74748 0.59177 1.00000
Np5 Np 0.35244 0.56933 0.37250 1.00000
Np6 Np 0.94294 0.87087 0.95833 1.00000
Np7 Np 0.79475 0.47051 0.33418 1.00000
Np8 Np 0.16703 0.85080 0.24784 1.00000
Np9 Np 0.52265 0.76770 0.08824 1.00000
Np10 Np 0.38556 0.81361 0.65890 1.00000
Ga1 Ga 0.52788 0.11544 0.03955 1.00000
Ga2 Ga 0.62639 0.48928 0.70738 1.00000
Ga3 Ga 0.15678 0.14134 0.73367 1.00000
Ga4 Ga 0.97274 0.50938 0.99656 1.00000
Pd1 Pd 0.05852 0.24272 0.07585 1.00000
Pd2 Pd 0.46607 0.39728 0.97211 1.00000
Pd3 Pd 0.14312 0.48143 0.70529 1.00000
Pd4 Pd 0.68124 0.13314 0.74858 1.00000
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