Ta4Nb2Ru3
Alexandria ALEXAlex-ID: agm005656972 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_1194_spg2
TaNbRu Ta3NbRu2
2023-06-27 12:40:44.783785
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005656972).
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 agm005656972
data_agm005656972
_cell_length_a 5.60390
_cell_length_b 10.60129
_cell_length_c 6.19255
_cell_angle_alpha 75.83601
_cell_angle_beta 76.61027
_cell_angle_gamma 61.64628
_cell_volume 311.03070
_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 0.45149 0.25024 0.00124 1.00000
Ta2 Ta 0.04667 0.97305 0.75747 1.00000
Ta3 Ta 0.54851 0.74976 0.99876 1.00000
Ta4 Ta 0.95333 0.02695 0.24253 1.00000
Ta5 Ta 0.99782 0.51059 0.26199 1.00000
Ta6 Ta 0.49520 0.75134 0.49350 1.00000
Ta7 Ta 0.00218 0.48941 0.73801 1.00000
Ta8 Ta 0.50480 0.24866 0.50650 1.00000
Nb1 Nb 0.70757 0.39297 0.12843 1.00000
Nb2 Nb 0.92879 0.78342 0.55048 1.00000
Nb3 Nb 0.29243 0.60703 0.87157 1.00000
Nb4 Nb 0.07121 0.21658 0.44952 1.00000
Ru1 Ru 0.07093 0.18893 0.90209 1.00000
Ru2 Ru 0.54932 0.99294 0.74447 1.00000
Ru3 Ru 0.92907 0.81107 0.09791 1.00000
Ru4 Ru 0.45068 0.00706 0.25553 1.00000
Ru5 Ru 0.65380 0.40995 0.64991 1.00000
Ru6 Ru 0.34620 0.59005 0.35009 1.00000
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