Ta2NbMo6
Alexandria ALEXAlex-ID: agm005662040 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_2947_spg2
NbMo2 TaMo2
2023-07-08 21:22:39.534381
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005662040).
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 agm005662040
data_agm005662040
_cell_length_a 2.74210
_cell_length_b 7.17232
_cell_length_c 8.56216
_cell_angle_alpha 74.72595
_cell_angle_beta 70.44869
_cell_angle_gamma 75.38988
_cell_volume 150.56543
_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 0.45811 0.00057 0.33596 1.00000
Ta2 Ta 0.54189 0.99943 0.66404 1.00000
Nb1 Nb 0.00000 0.00000 0.00000 1.00000
Mo1 Mo 0.84843 0.34103 0.11328 1.00000
Mo2 Mo 0.15157 0.65897 0.88672 1.00000
Mo3 Mo 0.17238 0.66021 0.55642 1.00000
Mo4 Mo 0.20028 0.66042 0.22548 1.00000
Mo5 Mo 0.79972 0.33958 0.77452 1.00000
Mo6 Mo 0.82762 0.33979 0.44358 1.00000
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