Zr5(NpBi)2
Alexandria ALEXAlex-ID: agm009243752 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_488_spg12
Zr3Bi Zr2Bi Np
2024-03-09 02:20:30.936304
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009243752).
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 agm009243752
data_agm009243752
_cell_length_a 3.71699
_cell_length_b 7.73172
_cell_length_c 8.89657
_cell_angle_alpha 64.07584
_cell_angle_beta 65.29074
_cell_angle_gamma 76.09283
_cell_volume 208.37428
_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
Zr1 Zr 0.09871 0.45221 0.67527 1.00000
Zr2 Zr 0.90129 0.54779 0.32473 1.00000
Zr3 Zr 0.55661 0.20797 0.33942 1.00000
Zr4 Zr 0.44339 0.79203 0.66058 1.00000
Zr5 Zr 0.00000 0.00000 0.00000 1.00000
Np1 Np 0.30454 0.38792 0.00147 1.00000
Np2 Np 0.69546 0.61208 0.99853 1.00000
Bi1 Bi 0.23476 0.87615 0.32718 1.00000
Bi2 Bi 0.76524 0.12385 0.67282 1.00000
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