Dy4ZnTc
Alexandria ALEXAlex-ID: agm005807995 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_180_spg2
Dy3Tc DyZn
2023-07-31 17:04:00.460858
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005807995).
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
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# CIF generated by HEAS from Alexandria entry agm005807995
data_agm005807995
_cell_length_a 6.27583
_cell_length_b 7.51626
_cell_length_c 7.51627
_cell_angle_alpha 112.72351
_cell_angle_beta 98.42222
_cell_angle_gamma 98.42217
_cell_volume 315.38962
_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 0.91077 0.63020 0.78938 1.00000
Dy2 Dy 0.03859 0.93281 0.27791 1.00000
Dy3 Dy 0.58923 0.21062 0.36980 1.00000
Dy4 Dy 0.46141 0.72209 0.06719 1.00000
Dy5 Dy 0.53859 0.27791 0.93281 1.00000
Dy6 Dy 0.41077 0.78938 0.63020 1.00000
Dy7 Dy 0.96141 0.06719 0.72209 1.00000
Dy8 Dy 0.08923 0.36980 0.21062 1.00000
Zn1 Zn 0.75000 0.62775 0.37224 1.00000
Zn2 Zn 0.25000 0.37225 0.62776 1.00000
Tc1 Tc 0.25000 0.99816 0.00184 1.00000
Tc2 Tc 0.75000 0.00184 0.99816 1.00000
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