Cr2Re2W
Alexandria ALEXAlex-ID: agm005949367 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_1486_spg2
Cr7Re6 Re W
2023-08-03 15:54:26.294697
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005949367).
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
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# CIF generated by HEAS from Alexandria entry agm005949367
data_agm005949367
_cell_length_a 4.96730
_cell_length_b 5.25384
_cell_length_c 6.90928
_cell_angle_alpha 101.74299
_cell_angle_beta 98.98515
_cell_angle_gamma 121.89687
_cell_volume 142.13941
_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
Cr1 Cr 0.30217 0.00809 0.08642 1.00000
Cr2 Cr 0.50162 0.73654 0.51340 1.00000
Cr3 Cr 0.69783 0.99191 0.91358 1.00000
Cr4 Cr 0.49838 0.26346 0.48660 1.00000
Re1 Re 0.28917 0.49805 0.09820 1.00000
Re2 Re 0.09300 0.43397 0.69627 1.00000
Re3 Re 0.90699 0.56603 0.30373 1.00000
Re4 Re 0.71083 0.50195 0.90181 1.00000
W1 W 0.89097 0.05402 0.29925 1.00000
W2 W 0.10902 0.94598 0.70075 1.00000
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