DyH7Pt5
Alexandria ALEXAlex-ID: agm007348798 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C7_348_spg1
Dy(H3Pt)4 DyPt3 Pt
2024-03-16 01:48:40.103954
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007348798).
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 agm007348798
data_agm007348798
_cell_length_a 5.53074
_cell_length_b 5.46612
_cell_length_c 5.10589
_cell_angle_alpha 70.82576
_cell_angle_beta 108.09384
_cell_angle_gamma 110.26608
_cell_volume 133.35410
_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 0.96481 0.85194 0.83651 1.00000
H1 H 0.95226 0.47861 0.22684 1.00000
H2 H 0.83214 0.35775 0.88474 1.00000
H3 H 0.30073 0.05153 0.21069 1.00000
H4 H 0.83929 0.96686 0.21871 1.00000
H5 H 0.56921 0.50450 0.99918 1.00000
H6 H 0.44780 0.98462 0.90273 1.00000
H7 H 0.67182 0.14921 0.51131 1.00000
Pt1 Pt 0.43646 0.36952 0.70208 1.00000
Pt2 Pt 0.10725 0.26331 0.18411 1.00000
Pt3 Pt 0.93721 0.42896 0.57229 1.00000
Pt4 Pt 0.39450 0.88219 0.56570 1.00000
Pt5 Pt 0.54653 0.71102 0.18510 1.00000
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