Ta2MoW6
Alexandria ALEXAlex-ID: agm005661701 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_724_spg12
TaMoW2 TaW4
2023-07-08 18:27:24.840622
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005661701).
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 agm005661701
data_agm005661701
_cell_length_a 5.17368
_cell_length_b 5.85293
_cell_length_c 5.85293
_cell_angle_alpha 68.49510
_cell_angle_beta 77.29221
_cell_angle_gamma 77.29220
_cell_volume 158.94956
_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 0.81609 0.30595 0.30595 1.00000
Ta2 Ta 0.18391 0.69405 0.69405 1.00000
Mo1 Mo 0.00000 0.00000 0.00000 1.00000
W1 W 0.30220 0.59632 0.21454 1.00000
W2 W 0.35916 0.14359 0.14359 1.00000
W3 W 0.30220 0.21454 0.59632 1.00000
W4 W 0.69780 0.40368 0.78546 1.00000
W5 W 0.64084 0.85641 0.85641 1.00000
W6 W 0.69780 0.78546 0.40368 1.00000
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