Ti6NbPt5
Alexandria ALEXAlex-ID: agm006136264 · Space group: P2/m (#10)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_47_spg65
Ti3Nb3Pt2 Ti3Pt TiPt
2023-09-10 21:06:16.917465
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006136264).
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 agm006136264
data_agm006136264
_cell_length_a 4.61060
_cell_length_b 6.19417
_cell_length_c 6.95060
_cell_angle_alpha 89.99993
_cell_angle_beta 104.68328
_cell_angle_gamma 89.99992
_cell_volume 192.01829
_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
Nb1 Nb 0.00000 0.00000 0.00000 1.00000
Pt1 Pt 0.60964 0.50000 0.32199 1.00000
Pt2 Pt 0.38250 0.00000 0.67763 1.00000
Pt3 Pt 0.00000 0.50000 0.00000 1.00000
Pt4 Pt 0.61750 1.00000 0.32237 1.00000
Pt5 Pt 0.39036 0.50000 0.67801 1.00000
Ti1 Ti 0.86794 0.75311 0.66180 1.00000
Ti2 Ti 0.86794 0.24689 0.66180 1.00000
Ti3 Ti 0.50000 0.25190 1.00000 1.00000
Ti4 Ti 0.50000 0.74810 0.00000 1.00000
Ti5 Ti 0.13206 0.75311 0.33820 1.00000
Ti6 Ti 0.13206 0.24689 0.33820 1.00000
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