Ta2Nb9Ag
Alexandria ALEXAlex-ID: agm102053751 · Space group: P3m1 (#156)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C9_251_spg65
TaNb5 TaNb4 Ag
2025-05-20 09:37:20
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm102053751).
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 agm102053751
data_agm102053751
_cell_length_a 9.56337
_cell_length_b 9.56333
_cell_length_c 2.78096
_cell_angle_alpha 89.99010
_cell_angle_beta 90.00987
_cell_angle_gamma 119.99966
_cell_volume 220.26581
_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 0.66795 0.33203 0.14739 1.00000
Ta2 Ta 0.33462 0.66537 0.26957 1.00000
Nb1 Nb 0.83380 0.66383 0.37606 1.00000
Nb2 Nb 0.50038 0.49959 0.90576 1.00000
Nb3 Nb 0.50045 0.99702 0.90580 1.00000
Nb4 Nb 0.33617 0.16620 0.37607 1.00000
Nb5 Nb 0.17139 0.33897 0.59562 1.00000
Nb6 Nb 0.17142 0.82859 0.59544 1.00000
Nb7 Nb 0.66102 0.82862 0.59562 1.00000
Nb8 Nb 0.00299 0.49954 0.90580 1.00000
Nb9 Nb 0.83386 0.16615 0.37610 1.00000
Ag1 Ag 0.00128 0.99876 0.95290 1.00000
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