Zn2H6RuPt
Alexandria ALEXAlex-ID: agm007257072 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_2269_spg12
ZnH6Ru ZnPt
2024-03-26 07:01:48.294797
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007257072).
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 agm007257072
data_agm007257072
_cell_length_a 4.83662
_cell_length_b 4.39435
_cell_length_c 4.44987
_cell_angle_alpha 73.96933
_cell_angle_beta 78.35543
_cell_angle_gamma 78.96543
_cell_volume 88.09880
_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 0.30792 0.39304 0.59371 1.00000
Zn2 Zn 0.85555 0.05467 0.55326 1.00000
H1 H 0.85468 0.48041 0.99690 1.00000
H2 H 0.43441 0.61298 0.89844 1.00000
H3 H 0.97507 0.50397 0.44433 1.00000
H4 H 0.18892 0.94866 0.70220 1.00000
H5 H 0.72873 0.83746 0.24499 1.00000
H6 H 0.30974 0.97134 0.15090 1.00000
Ru1 Ru 0.08208 0.72646 0.07355 1.00000
Pt1 Pt 0.58227 0.22605 0.07299 1.00000
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