Y3Np13
Alexandria ALEXAlex-ID: agm007805088 · Space group: Amm2 (#38)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B13_7_spg38
Np Y
2024-03-19 17:55:20
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007805088).
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 agm007805088
data_agm007805088
_cell_length_a 7.29134
_cell_length_b 6.97550
_cell_length_c 6.97612
_cell_angle_alpha 88.80824
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 354.73392
_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
Y1 Y 0.23113 0.02265 0.97734 1.00000
Y2 Y 0.50000 0.27572 0.72427 1.00000
Y3 Y 0.76887 0.02265 0.97734 1.00000
Np1 Np 0.25273 0.00213 0.47296 1.00000
Np2 Np 0.23433 0.56520 0.43485 1.00000
Np3 Np 0.25271 0.52700 0.99789 1.00000
Np4 Np 0.50000 0.69377 0.82737 1.00000
Np5 Np 0.50000 0.17269 0.30620 1.00000
Np6 Np 0.50000 0.71822 0.28176 1.00000
Np7 Np 0.74727 0.00213 0.47296 1.00000
Np8 Np 0.76567 0.56520 0.43485 1.00000
Np9 Np 0.74729 0.52700 0.99789 1.00000
Np10 Np 0.00000 0.31780 0.68218 1.00000
Np11 Np 0.00000 0.64868 0.80006 1.00000
Np12 Np 0.00000 0.19997 0.35131 1.00000
Np13 Np 0.00000 0.73919 0.26078 1.00000
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