DyTcB14
Alexandria ALEXAlex-ID: agm005755247 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC14_1_spg74
DyB12 TcB2
2023-07-18 14:05:21.036022
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005755247).
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 agm005755247
data_agm005755247
_cell_length_a 5.88400
_cell_length_b 7.39179
_cell_length_c 7.39179
_cell_angle_alpha 67.57570
_cell_angle_beta 66.54623
_cell_angle_gamma 66.54623
_cell_volume 260.88903
_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
Dy1 Dy 0.25000 0.37555 0.12445 1.00000
Dy2 Dy 0.75000 0.62445 0.87555 1.00000
Tc1 Tc 0.50000 0.00000 0.50000 1.00000
Tc2 Tc 0.00000 0.00000 0.50000 1.00000
B1 B 0.66734 0.36808 0.29725 1.00000
B2 B 0.33266 0.63192 0.70275 1.00000
B3 B 0.16734 0.79725 0.86808 1.00000
B4 B 0.83266 0.20275 0.13192 1.00000
B5 B 0.12198 0.24831 0.50772 1.00000
B6 B 0.87802 0.75169 0.49228 1.00000
B7 B 0.62198 0.00772 0.74831 1.00000
B8 B 0.37802 0.99228 0.25169 1.00000
B9 B 0.08294 0.08706 0.74706 1.00000
B10 B 0.91706 0.91294 0.25294 1.00000
B11 B 0.58294 0.24706 0.58706 1.00000
B12 B 0.41706 0.75294 0.41294 1.00000
B13 B 0.72512 0.59788 0.27476 1.00000
B14 B 0.59775 0.40212 0.72524 1.00000
B15 B 0.22512 0.77476 0.09788 1.00000
B16 B 0.09775 0.22524 0.90212 1.00000
B17 B 0.27488 0.40212 0.72524 1.00000
B18 B 0.40225 0.59788 0.27476 1.00000
B19 B 0.77488 0.22524 0.90212 1.00000
B20 B 0.90225 0.77476 0.09788 1.00000
B21 B 0.32422 0.96990 0.87335 1.00000
B22 B 0.16746 0.03010 0.12665 1.00000
B23 B 0.82422 0.37335 0.46990 1.00000
B24 B 0.66746 0.62665 0.53010 1.00000
B25 B 0.67578 0.03010 0.12665 1.00000
B26 B 0.83254 0.96990 0.87335 1.00000
B27 B 0.17578 0.62665 0.53010 1.00000
B28 B 0.33254 0.37335 0.46990 1.00000
