Zr2(NpSn)3
Alexandria ALEXAlex-ID: agm009079462 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C3_213_spg12
Zr5Sn4 Np2Sn Np
2024-03-09 03:22:53.253239
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009079462).
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 agm009079462
data_agm009079462
_cell_length_a 10.01395
_cell_length_b 10.01395
_cell_length_c 10.01395
_cell_angle_alpha 153.96905
_cell_angle_beta 153.68148
_cell_angle_gamma 37.35416
_cell_volume 195.10169
_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 0.74755 0.24755 0.50000 1.00000
Zr2 Zr 0.25245 0.75245 0.50000 1.00000
Np1 Np 0.61732 0.61732 0.00000 1.00000
Np2 Np 0.38268 0.38268 0.00000 1.00000
Np3 Np 0.50000 0.00000 0.50000 1.00000
Sn1 Sn 0.13890 0.13890 0.00000 1.00000
Sn2 Sn 0.00000 0.50000 0.50000 1.00000
Sn3 Sn 0.86110 0.86110 0.00000 1.00000
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