Th2Zr2Np5
Alexandria ALEXAlex-ID: agm009649504 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_498_spg12
Th Zr Np
2024-04-21 08:32:26.116784
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009649504).
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 agm009649504
data_agm009649504
_cell_length_a 5.87667
_cell_length_b 5.11244
_cell_length_c 7.96416
_cell_angle_alpha 71.39554
_cell_angle_beta 95.99458
_cell_angle_gamma 115.69299
_cell_volume 204.19067
_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
Th1 Th 0.04301 0.64364 0.75506 1.00000
Th2 Th 0.95699 0.35636 0.24494 1.00000
Zr1 Zr 0.68486 0.01805 0.64834 1.00000
Zr2 Zr 0.31514 0.98195 0.35166 1.00000
Np1 Np 0.54778 0.74626 0.05596 1.00000
Np2 Np 0.45222 0.25374 0.94404 1.00000
Np3 Np 0.34885 0.35928 0.63054 1.00000
Np4 Np 0.65115 0.64072 0.36946 1.00000
Np5 Np 0.00000 0.00000 0.00000 1.00000
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