TaNb2Co3
Alexandria ALEXAlex-ID: agm005664530 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2328_spg12
Nb7Co6 Ta7Co6 TaCo3
2023-08-17 09:58:10.878726
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005664530).
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 agm005664530
data_agm005664530
_cell_length_a 4.07213
_cell_length_b 5.11840
_cell_length_c 8.78646
_cell_angle_alpha 98.13720
_cell_angle_beta 103.39879
_cell_angle_gamma 90.00000
_cell_volume 176.25332
_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 0.30734 0.66880 0.61468 1.00000
Ta2 Ta 0.69266 0.33120 0.38532 1.00000
Nb1 Nb 0.14124 0.83080 0.28247 1.00000
Nb2 Nb 0.85876 0.16920 0.71753 1.00000
Nb3 Nb 0.95930 0.72804 0.91860 1.00000
Nb4 Nb 0.04070 0.27196 0.08140 1.00000
Co1 Co 0.57221 0.55764 0.14442 1.00000
Co2 Co 0.42779 0.44236 0.85558 1.00000
Co3 Co 0.57038 0.00698 0.14076 1.00000
Co4 Co 0.42962 0.99302 0.85924 1.00000
Co5 Co 0.73242 0.83268 0.46483 1.00000
Co6 Co 0.26758 0.16732 0.53517 1.00000
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