ReTc5W
Alexandria ALEXAlex-ID: agm005777348 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC5_1377_spg62
ReTc3 Tc W
2023-07-15 08:42:03.591866
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005777348).
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 agm005777348
data_agm005777348
_cell_length_a 5.04719
_cell_length_b 8.29661
_cell_length_c 10.53478
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 441.13968
_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 0.25000 0.87863 0.83473 1.00000
Re2 Re 0.75000 0.62137 0.33473 1.00000
Re3 Re 0.25000 0.37863 0.66527 1.00000
Re4 Re 0.75000 0.12137 0.16527 1.00000
Tc1 Tc 0.25000 0.68104 0.03256 1.00000
Tc2 Tc 0.75000 0.81896 0.53256 1.00000
Tc3 Tc 0.25000 0.18104 0.46744 1.00000
Tc4 Tc 0.75000 0.31896 0.96744 1.00000
Tc5 Tc 0.75000 0.28962 0.73233 1.00000
Tc6 Tc 0.25000 0.21038 0.23233 1.00000
Tc7 Tc 0.75000 0.78962 0.76767 1.00000
Tc8 Tc 0.25000 0.71038 0.26767 1.00000
Tc9 Tc 0.25000 0.98124 0.07230 1.00000
Tc10 Tc 0.75000 0.51876 0.57230 1.00000
Tc11 Tc 0.25000 0.48124 0.42770 1.00000
Tc12 Tc 0.75000 0.01876 0.92770 1.00000
Tc13 Tc 0.99400 0.45039 0.15562 1.00000
Tc14 Tc 0.00600 0.04961 0.65562 1.00000
Tc15 Tc 0.50600 0.95039 0.34438 1.00000
Tc16 Tc 0.49400 0.54961 0.84438 1.00000
Tc17 Tc 0.00600 0.54961 0.84438 1.00000
Tc18 Tc 0.99400 0.95039 0.34438 1.00000
Tc19 Tc 0.49400 0.04961 0.65562 1.00000
Tc20 Tc 0.50600 0.45039 0.15562 1.00000
W1 W 0.25000 0.21605 0.88578 1.00000
W2 W 0.75000 0.28395 0.38578 1.00000
W3 W 0.25000 0.71605 0.61422 1.00000
W4 W 0.75000 0.78395 0.11422 1.00000
