Dy2AlHPt6
Alexandria ALEXAlex-ID: agm007173036 · Space group: R3m (#160)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_2224_spg8
Dy8AlPt24 DyH3Pt DyAl2Pt5 DyH3
2024-07-02 10:10:31.019444
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007173036).
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 agm007173036
data_agm007173036
_cell_length_a 6.88566
_cell_length_b 6.88566
_cell_length_c 6.88566
_cell_angle_alpha 48.61557
_cell_angle_beta 48.61557
_cell_angle_gamma 48.61557
_cell_volume 168.59679
_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 0.72118 0.72118 0.72118 1.00000
Dy2 Dy 0.27612 0.27612 0.27612 1.00000
Al1 Al 0.98979 0.98979 0.98979 1.00000
H1 H 0.58908 0.58908 0.58908 1.00000
Pt1 Pt 0.72215 0.20991 0.72215 1.00000
Pt2 Pt 0.20991 0.72215 0.72215 1.00000
Pt3 Pt 0.25908 0.25908 0.75328 1.00000
Pt4 Pt 0.72215 0.72215 0.20991 1.00000
Pt5 Pt 0.75328 0.25908 0.25908 1.00000
Pt6 Pt 0.25908 0.75328 0.25908 1.00000
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