Ta2ReW6
Alexandria ALEXAlex-ID: agm005661707 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_891_spg12
Ta2ReW2 TaW7 TaRe
2023-07-12 22:51:47.302477
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005661707).
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 agm005661707
data_agm005661707
_cell_length_a 4.57344
_cell_length_b 5.41783
_cell_length_c 6.90644
_cell_angle_alpha 79.40051
_cell_angle_beta 109.30451
_cell_angle_gamma 89.96267
_cell_volume 158.40247
_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 0.89606 0.48649 0.79214 1.00000
Ta2 Ta 0.10394 0.51351 0.20786 1.00000
Re1 Re 1.00000 1.00000 0.00000 1.00000
W1 W 0.69255 0.85300 0.38505 1.00000
W2 W 0.30745 0.14700 0.61495 1.00000
W3 W 0.29120 0.66542 0.58250 1.00000
W4 W 0.50517 0.25456 0.00994 1.00000
W5 W 0.49483 0.74544 0.99006 1.00000
W6 W 0.70880 0.33458 0.41750 1.00000
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