Zr2H6Pt
Alexandria ALEXAlex-ID: agm007295437 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_3143_spg14
Zr4H15 ZrH2 ZrPt3
2024-02-08 19:14:56
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007295437).
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 agm007295437
data_agm007295437
_cell_length_a 4.08160
_cell_length_b 5.81497
_cell_length_c 6.88551
_cell_angle_alpha 86.46687
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 163.11281
_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
Zr1 Zr 0.51329 0.69523 0.17927 1.00000
Zr2 Zr 0.01329 0.30477 0.32073 1.00000
Zr3 Zr 0.98671 0.69523 0.67927 1.00000
Zr4 Zr 0.48671 0.30477 0.82073 1.00000
H1 H 0.98523 0.37232 0.79199 1.00000
H2 H 0.73409 0.55971 0.94516 1.00000
H3 H 0.82704 0.11324 0.60649 1.00000
H4 H 0.32704 0.88676 0.89351 1.00000
H5 H 0.23409 0.44029 0.55484 1.00000
H6 H 0.48523 0.62768 0.70801 1.00000
H7 H 0.01477 0.62768 0.20801 1.00000
H8 H 0.26591 0.44029 0.05484 1.00000
H9 H 0.17296 0.88676 0.39351 1.00000
H10 H 0.67296 0.11324 0.10649 1.00000
H11 H 0.76591 0.55971 0.44516 1.00000
H12 H 0.51477 0.37232 0.29199 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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