VCrW2
Alexandria ALEXAlex-ID: agm005652701 · Space group: P2/c (#13)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_7746_spg14
VCr5 V2W5
2023-07-15 13:33:19.362153
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005652701).
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 agm005652701
data_agm005652701
_cell_length_a 5.12480
_cell_length_b 5.24383
_cell_length_c 8.79798
_cell_angle_alpha 89.05430
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 236.40091
_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 0.57012 0.63242 0.88238 1.00000
V2 V 0.42988 0.36758 0.11762 1.00000
V3 V 0.57012 0.36758 0.61762 1.00000
V4 V 0.42988 0.63242 0.38238 1.00000
Cr1 Cr 0.67890 0.86467 0.12286 1.00000
Cr2 Cr 0.32110 0.13533 0.87714 1.00000
Cr3 Cr 0.67890 0.13533 0.37714 1.00000
Cr4 Cr 0.32110 0.86467 0.62286 1.00000
W1 W 0.19257 0.12914 0.38026 1.00000
W2 W 0.80743 0.87086 0.61974 1.00000
W3 W 0.19257 0.87086 0.11974 1.00000
W4 W 0.80743 0.12914 0.88026 1.00000
W5 W 0.07519 0.36520 0.62511 1.00000
W6 W 0.92481 0.63480 0.37489 1.00000
W7 W 0.07519 0.63480 0.87489 1.00000
W8 W 0.92481 0.36520 0.12511 1.00000
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