Ta2Nb4Pt5
Alexandria ALEXAlex-ID: agm005669089 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_318_spg12
TaNb4Pt5 Ta4NbPt5 Nb3Pt
2023-06-22 05:08:46.767726
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005669089).
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 agm005669089
data_agm005669089
_cell_length_a 6.94853
_cell_length_b 6.94852
_cell_length_c 6.40429
_cell_angle_alpha 66.56508
_cell_angle_beta 66.56509
_cell_angle_gamma 44.46269
_cell_volume 195.57654
_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
Ta1 Ta 0.16505 0.16505 0.67937 1.00000
Ta2 Ta 0.83495 0.83495 0.32063 1.00000
Nb1 Nb 0.39073 0.39073 0.52767 1.00000
Nb2 Nb 0.60927 0.60927 0.47233 1.00000
Nb3 Nb 0.75925 0.75925 0.81535 1.00000
Nb4 Nb 0.24075 0.24075 0.18465 1.00000
Pt1 Pt 0.67638 0.18253 0.89020 1.00000
Pt2 Pt 0.32362 0.81747 0.10980 1.00000
Pt3 Pt 0.00000 0.00000 0.50000 1.00000
Pt4 Pt 0.18253 0.67638 0.89020 1.00000
Pt5 Pt 0.81747 0.32362 0.10980 1.00000
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