Zr2NbNi3
Alexandria ALEXAlex-ID: agm033199432 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_4629_spg15
ZrNi3 Nb2Ni ZrNi
2025-04-14 07:33:55
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm033199432).
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 agm033199432
data_agm033199432
_cell_length_a 7.10150
_cell_length_b 7.23043
_cell_length_c 7.55036
_cell_angle_alpha 91.11865
_cell_angle_beta 91.09260
_cell_angle_gamma 81.86282
_cell_volume 383.65916
_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 0.59556 0.38487 0.70831 1.00000
Zr2 Zr 0.21112 0.41762 0.93854 1.00000
Zr3 Zr 0.78888 0.58238 0.06146 1.00000
Zr4 Zr 0.40444 0.61513 0.29169 1.00000
Zr5 Zr 0.90422 0.11523 0.20600 1.00000
Zr6 Zr 0.94482 0.72755 0.43185 1.00000
Zr7 Zr 0.05518 0.27245 0.56815 1.00000
Zr8 Zr 0.09578 0.88477 0.79400 1.00000
Nb1 Nb 0.68186 0.97203 0.92371 1.00000
Nb2 Nb 0.31814 0.02797 0.07629 1.00000
Nb3 Nb 0.44931 0.19753 0.36063 1.00000
Nb4 Nb 0.55069 0.80247 0.63937 1.00000
Ni1 Ni 0.42583 0.67821 0.93276 1.00000
Ni2 Ni 0.90117 0.24274 0.87977 1.00000
Ni3 Ni 0.57417 0.32179 0.06724 1.00000
Ni4 Ni 0.09883 0.75726 0.12023 1.00000
Ni5 Ni 0.62095 0.88270 0.29332 1.00000
Ni6 Ni 0.10434 0.41707 0.26530 1.00000
Ni7 Ni 0.24379 0.93051 0.43806 1.00000
Ni8 Ni 0.74461 0.41966 0.38537 1.00000
Ni9 Ni 0.75621 0.06949 0.56194 1.00000
Ni10 Ni 0.25539 0.58034 0.61463 1.00000
Ni11 Ni 0.37905 0.11730 0.70668 1.00000
Ni12 Ni 0.89566 0.58293 0.73470 1.00000
