V2ReW6
Alexandria ALEXAlex-ID: agm005661979 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_891_spg12
V6Re5W VW7 VRe
2023-07-09 20:39:02.046933
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005661979).
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 agm005661979
data_agm005661979
_cell_length_a 4.53206
_cell_length_b 5.41199
_cell_length_c 9.18531
_cell_angle_alpha 135.13884
_cell_angle_beta 104.30987
_cell_angle_gamma 90.04363
_cell_volume 148.79861
_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
V1 V 0.90126 0.32860 0.80289 1.00000
V2 V 0.09874 0.67140 0.19711 1.00000
Re1 Re 0.00000 0.00000 1.00000 1.00000
W1 W 0.70735 0.06538 0.41478 1.00000
W2 W 0.29265 0.93462 0.58522 1.00000
W3 W 0.30066 0.46192 0.60074 1.00000
W4 W 0.49656 0.24899 0.99317 1.00000
W5 W 0.50344 0.75101 0.00683 1.00000
W6 W 0.69934 0.53808 0.39926 1.00000
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