Dy2Zr2Np5
Alexandria ALEXAlex-ID: agm009481982 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_1260_spg12
Dy Zr Np
2024-03-19 19:27:44
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009481982).
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 agm009481982
data_agm009481982
_cell_length_a 3.44777
_cell_length_b 6.89453
_cell_length_c 9.94506
_cell_angle_alpha 101.92795
_cell_angle_beta 86.29977
_cell_angle_gamma 113.41223
_cell_volume 212.21378
_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
Dy1 Dy 0.47351 0.91898 0.26277 1.00000
Dy2 Dy 0.52649 0.08102 0.73723 1.00000
Zr1 Zr 0.11324 0.29545 0.49641 1.00000
Zr2 Zr 0.88676 0.70455 0.50359 1.00000
Np1 Np 0.48339 0.57209 0.77186 1.00000
Np2 Np 0.51661 0.42791 0.22814 1.00000
Np3 Np 0.99419 0.35549 0.05431 1.00000
Np4 Np 0.00581 0.64451 0.94569 1.00000
Np5 Np 0.00000 0.00000 0.00000 1.00000
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