Cr2Re3W
Alexandria ALEXAlex-ID: agm033017924 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_229_spg2
Cr7Re6 Re W
2024-10-22 05:11:17.948430
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm033017924).
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 agm033017924
data_agm033017924
_cell_length_a 6.78306
_cell_length_b 6.78306
_cell_length_c 6.15938
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 143.11334
_cell_volume 170.10213
_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 0.50000 0.50000 0.50000 1.00000
Cr2 Cr 0.50000 0.50000 0.00000 1.00000
Cr3 Cr 0.83184 0.16816 0.00000 1.00000
Cr4 Cr 0.16816 0.83184 0.00000 1.00000
Re1 Re 0.33590 0.66410 0.23935 1.00000
Re2 Re 0.00000 0.00000 0.76058 1.00000
Re3 Re 0.66410 0.33590 0.76065 1.00000
Re4 Re 0.33590 0.66410 0.76065 1.00000
Re5 Re 0.66410 0.33590 0.23935 1.00000
Re6 Re 0.00000 0.00000 0.23942 1.00000
W1 W 0.83526 0.16474 0.50000 1.00000
W2 W 0.16474 0.83526 0.50000 1.00000
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