Pr2Zr3Nb8
Alexandria ALEXAlex-ID: agm017321774 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C8_201_spg12
ZrNb17 Pr Zr
2024-10-23 01:12:05.078556
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017321774).
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 agm017321774
data_agm017321774
_cell_length_a 7.45219
_cell_length_b 7.45219
_cell_length_c 9.16558
_cell_angle_alpha 62.22349
_cell_angle_beta 62.22349
_cell_angle_gamma 38.37553
_cell_volume 274.85210
_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
Pr1 Pr 0.37125 0.37125 0.54622 1.00000
Pr2 Pr 0.62875 0.62875 0.45378 1.00000
Zr1 Zr 0.00000 0.00000 0.00000 1.00000
Zr2 Zr 0.54444 0.54444 0.14607 1.00000
Zr3 Zr 0.45556 0.45556 0.85393 1.00000
Nb1 Nb 0.77787 0.77787 0.05520 1.00000
Nb2 Nb 0.22213 0.22213 0.94480 1.00000
Nb3 Nb 0.86509 0.86509 0.35434 1.00000
Nb4 Nb 0.13491 0.13491 0.64566 1.00000
Nb5 Nb 0.91892 0.91892 0.71025 1.00000
Nb6 Nb 0.69208 0.69208 0.77793 1.00000
Nb7 Nb 0.30792 0.30792 0.22207 1.00000
Nb8 Nb 0.08108 0.08108 0.28975 1.00000
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