ZrTi7Nb4
Alexandria ALEXAlex-ID: agm062028862 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C7_537_spg2
TiNb7 Zr Ti
2024-10-22 23:25:28.846883
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm062028862).
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 agm062028862
data_agm062028862
_cell_length_a 5.72050
_cell_length_b 5.42996
_cell_length_c 7.26180
_cell_angle_alpha 75.64083
_cell_angle_beta 86.01128
_cell_angle_gamma 80.72302
_cell_volume 215.55855
_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 0.00000 0.00000 0.00000 1.00000
Ti1 Ti 0.74508 0.50629 0.02381 1.00000
Ti2 Ti 0.25492 0.49371 0.97619 1.00000
Ti3 Ti 0.80459 0.68095 0.35189 1.00000
Ti4 Ti 0.19541 0.31905 0.64811 1.00000
Ti5 Ti 0.06828 0.18429 0.32894 1.00000
Ti6 Ti 0.50000 0.00000 0.00000 1.00000
Ti7 Ti 0.93172 0.81571 0.67106 1.00000
Nb1 Nb 0.68555 0.33440 0.67750 1.00000
Nb2 Nb 0.31445 0.66560 0.32250 1.00000
Nb3 Nb 0.57026 0.18130 0.34425 1.00000
Nb4 Nb 0.42974 0.81870 0.65575 1.00000
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