Re8Tc4W
Alexandria ALEXAlex-ID: agm006089154 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_178_spg65
Re4Tc ReTc W
2023-09-03 11:42:50.536752
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006089154).
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 agm006089154
data_agm006089154
_cell_length_a 9.88749
_cell_length_b 8.65354
_cell_length_c 8.38048
_cell_angle_alpha 89.99939
_cell_angle_beta 147.94935
_cell_angle_gamma 115.90942
_cell_volume 215.94044
_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
Re1 Re 0.52201 0.76225 0.26801 1.00000
Re2 Re 0.47798 0.23775 0.73198 1.00000
Re3 Re 0.47801 0.23776 0.22401 1.00000
Re4 Re 0.00234 0.25423 0.77616 1.00000
Re5 Re 0.52200 0.76225 0.77600 1.00000
Re6 Re 0.99759 0.74574 0.77141 1.00000
Re7 Re 0.00240 0.25426 0.22858 1.00000
Re8 Re 0.99767 0.74578 0.22385 1.00000
Tc1 Tc 1.00000 1.00000 0.00001 1.00000
Tc2 Tc 1.00000 0.50000 0.00001 1.00000
Tc3 Tc 0.50000 0.50000 0.99999 1.00000
Tc4 Tc 0.50000 0.00000 0.99999 1.00000
W1 W 0.00000 0.50000 0.49999 1.00000
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