Tb2Zr2Np5
Alexandria ALEXAlex-ID: agm009672273 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_369_spg12
Tb Zr Np
2024-04-21 06:17:10.101732
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009672273).
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 agm009672273
data_agm009672273
_cell_length_a 6.04729
_cell_length_b 6.04729
_cell_length_c 8.00239
_cell_angle_alpha 80.31417
_cell_angle_beta 80.31417
_cell_angle_gamma 46.52921
_cell_volume 208.78813
_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
Tb1 Tb 0.85330 0.85330 0.11579 1.00000
Tb2 Tb 0.14670 0.14670 0.88421 1.00000
Zr1 Zr 0.54154 0.54154 0.17989 1.00000
Zr2 Zr 0.45846 0.45846 0.82011 1.00000
Np1 Np 0.66373 0.66373 0.50323 1.00000
Np2 Np 0.33627 0.33627 0.49677 1.00000
Np3 Np 0.80806 0.80806 0.69880 1.00000
Np4 Np 0.19194 0.19194 0.30120 1.00000
Np5 Np 0.00000 0.00000 0.50000 1.00000
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