Dy2Ti7
Alexandria ALEXAlex-ID: agm010049643 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B7_2_spg162
Ti Dy
2024-04-06 15:04:58
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010049643).
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 agm010049643
data_agm010049643
_cell_length_a 5.43644
_cell_length_b 5.41330
_cell_length_c 7.59958
_cell_angle_alpha 82.37761
_cell_angle_beta 81.81073
_cell_angle_gamma 122.56160
_cell_volume 180.60388
_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 0.64878 0.30288 0.06381 1.00000
Dy2 Dy 0.35122 0.69712 0.93619 1.00000
Ti1 Ti 0.83249 0.74817 0.66687 1.00000
Ti2 Ti 0.16751 0.25183 0.33313 1.00000
Ti3 Ti 0.02999 0.34597 0.66248 1.00000
Ti4 Ti 0.97001 0.65403 0.33752 1.00000
Ti5 Ti 0.00000 0.00000 0.00000 1.00000
Ti6 Ti 0.55744 0.82242 0.39373 1.00000
Ti7 Ti 0.44256 0.17758 0.60627 1.00000
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