TcB4W5
Alexandria ALEXAlex-ID: agm006126293 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C5_175_spg12
Tc2BW BW2 BW
2023-10-10 17:23:46
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006126293).
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 agm006126293
data_agm006126293
_cell_length_a 2.97942
_cell_length_b 5.92767
_cell_length_c 7.90123
_cell_angle_alpha 116.73440
_cell_angle_beta 100.86768
_cell_angle_gamma 90.00000
_cell_volume 121.81792
_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
Tc1 Tc 0.50000 0.00000 0.00000 1.00000
B1 B 0.63317 0.94974 0.26635 1.00000
B2 B 0.93970 0.16792 0.87940 1.00000
B3 B 0.36683 0.05026 0.73365 1.00000
B4 B 0.06030 0.83208 0.12060 1.00000
W1 W 0.16294 0.29435 0.32588 1.00000
W2 W 0.19682 0.77279 0.39365 1.00000
W3 W 0.80318 0.22721 0.60635 1.00000
W4 W 0.50000 0.50000 0.00000 1.00000
W5 W 0.83706 0.70565 0.67412 1.00000
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