Dy6HPt8
Alexandria ALEXAlex-ID: agm072964302 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_565_spg2
Dy3Pt5 Dy3Pt4 DyH3
2024-10-06 11:29:58.386775
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072964302).
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 agm072964302
data_agm072964302
_cell_length_a 5.69789
_cell_length_b 7.40924
_cell_length_c 8.42685
_cell_angle_alpha 104.22480
_cell_angle_beta 109.20050
_cell_angle_gamma 106.82413
_cell_volume 297.84005
_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 0.62952 0.63343 0.85428 1.00000
Dy2 Dy 0.00449 0.26414 0.44452 1.00000
Dy3 Dy 0.73748 0.09438 0.73814 1.00000
Dy4 Dy 0.37048 0.36657 0.14572 1.00000
Dy5 Dy 0.99551 0.73586 0.55548 1.00000
Dy6 Dy 0.26252 0.90562 0.26186 1.00000
H1 H 0.00000 0.00000 0.00000 1.00000
Pt1 Pt 0.77248 0.07239 0.07232 1.00000
Pt2 Pt 0.22752 0.92761 0.92768 1.00000
Pt3 Pt 0.89941 0.48410 0.14516 1.00000
Pt4 Pt 0.42473 0.66717 0.47866 1.00000
Pt5 Pt 0.70358 0.79700 0.24572 1.00000
Pt6 Pt 0.10059 0.51590 0.85484 1.00000
Pt7 Pt 0.57527 0.33283 0.52134 1.00000
Pt8 Pt 0.29642 0.20300 0.75428 1.00000
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