ZnH3Pt
Alexandria ALEXAlex-ID: agm007396180 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_660_spg8
H2 ZnPt
2025-05-26 22:00:11
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007396180).
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 agm007396180
data_agm007396180
_cell_length_a 4.98042
_cell_length_b 5.26217
_cell_length_c 4.94131
_cell_angle_alpha 93.33292
_cell_angle_beta 103.49501
_cell_angle_gamma 123.84810
_cell_volume 101.70635
_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
Zn1 Zn 0.16560 0.74450 0.37246 1.00000
Zn2 Zn 0.06317 0.15154 0.04019 1.00000
H1 H 0.64937 0.59696 0.88963 1.00000
H2 H 0.09652 0.49576 0.62538 1.00000
H3 H 0.82757 0.99174 0.54507 1.00000
H4 H 0.62530 0.47040 0.42878 1.00000
H5 H 0.45345 0.11842 0.67670 1.00000
H6 H 0.41277 0.88911 0.10776 1.00000
Pt1 Pt 0.61624 0.72246 0.22088 1.00000
Pt2 Pt 0.27543 0.30702 0.61550 1.00000
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