Dy4Tm5Zr
Alexandria ALEXAlex-ID: agm003661116 · Space group: I4mm (#107)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C5_149_spg79
Dy5Tm TmZr5 DyTm5
2022-04-08 10:02:06.725232
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003661116).
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 agm003661116
data_agm003661116
_cell_length_a 5.78511
_cell_length_b 7.88581
_cell_length_c 7.88581
_cell_angle_alpha 82.26763
_cell_angle_beta 68.48128
_cell_angle_gamma 68.48128
_cell_volume 311.34962
_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 0.43908 0.32109 0.67899 1.00000
Dy2 Dy 0.76017 0.67899 0.67891 1.00000
Dy3 Dy 0.11807 0.32101 0.32109 1.00000
Dy4 Dy 0.43916 0.67891 0.32101 1.00000
Tm1 Tm 0.78214 0.36979 0.99994 1.00000
Tm2 Tm 0.15194 0.99994 0.63021 1.00000
Tm3 Tm 0.78208 0.00006 0.36979 1.00000
Tm4 Tm 0.15187 0.63021 0.00006 1.00000
Tm5 Tm 0.67578 0.00000 0.00000 1.00000
Zr1 Zr 0.20999 1.00000 1.00000 1.00000
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