YZnH6Pt
Alexandria ALEXAlex-ID: agm007018420 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD6_247_spg74
YH3 H2 ZnPt
2024-03-16 01:31:48.713693
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007018420).
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 agm007018420
data_agm007018420
_cell_length_a 9.50620
_cell_length_b 9.50620
_cell_length_c 9.50620
_cell_angle_alpha 151.14535
_cell_angle_beta 133.08632
_cell_angle_gamma 56.01705
_cell_volume 300.87922
_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
Y1 Y 0.23582 0.48582 0.75000 1.00000
Y2 Y 0.76418 0.51418 0.25000 1.00000
Zn1 Zn 0.00000 0.50000 0.00000 1.00000
Zn2 Zn 0.00000 0.00000 0.50000 1.00000
H1 H 0.24371 0.99371 0.25000 1.00000
H2 H 0.88276 0.63276 0.25000 1.00000
H3 H 0.91751 0.18115 0.23852 1.00000
H4 H 0.44263 0.67899 0.26148 1.00000
H5 H 0.91751 0.67899 0.73636 1.00000
H6 H 0.44263 0.18115 0.76364 1.00000
H7 H 0.75629 0.00629 0.75000 1.00000
H8 H 0.11724 0.36724 0.75000 1.00000
H9 H 0.08249 0.81885 0.76148 1.00000
H10 H 0.55737 0.32101 0.73852 1.00000
H11 H 0.08249 0.32101 0.26364 1.00000
H12 H 0.55737 0.81885 0.23636 1.00000
Pt1 Pt 0.50000 0.00000 0.50000 1.00000
Pt2 Pt 0.00000 0.00000 0.00000 1.00000
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