Np6Ni3As8Pt3
Alexandria ALEXAlex-ID: agm016755243 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B3C6D8_0_spg5
Np3Ni6As5 NpAsPt NpNiAs2 NpAs
2024-10-16 05:11:35.272955
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm016755243).
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 agm016755243
data_agm016755243
_cell_length_a 7.96879
_cell_length_b 7.96879
_cell_length_c 9.09759
_cell_angle_alpha 54.99475
_cell_angle_beta 54.99475
_cell_angle_gamma 70.58013
_cell_volume 387.59554
_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 0.38146 0.87699 0.12426 1.00000
Np2 Np 0.12301 0.61854 0.87574 1.00000
Np3 Np 0.61458 0.38542 0.00000 1.00000
Np4 Np 0.88686 0.11314 0.50000 1.00000
Np5 Np 0.25183 0.26087 0.62519 1.00000
Np6 Np 0.73913 0.74817 0.37481 1.00000
Ni1 Ni 0.37578 0.62422 0.50000 1.00000
Ni2 Ni 0.25201 0.24721 0.12682 1.00000
Ni3 Ni 0.75279 0.74799 0.87318 1.00000
As1 As 0.48506 0.33545 0.75826 1.00000
As2 As 0.82275 0.99006 0.91995 1.00000
As3 As 0.00994 0.17725 0.08005 1.00000
As4 As 0.66455 0.51494 0.24174 1.00000
As5 As 0.32774 0.99277 0.41572 1.00000
As6 As 0.50883 0.82470 0.75676 1.00000
As7 As 0.00723 0.67226 0.58428 1.00000
As8 As 0.17530 0.49117 0.24324 1.00000
Pt1 Pt 0.87394 0.37573 0.62483 1.00000
Pt2 Pt 0.62427 0.12606 0.37517 1.00000
Pt3 Pt 0.12331 0.87669 0.00000 1.00000
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