ZrAl(H4Pt)2
Alexandria ALEXAlex-ID: agm007157747 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_330_spg12
Zr4H15 ZrPt3 AlPt H2
2024-01-28 12:00:08.653976
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007157747).
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 agm007157747
data_agm007157747
_cell_length_a 3.42043
_cell_length_b 5.08304
_cell_length_c 7.47328
_cell_angle_alpha 83.56312
_cell_angle_beta 103.14801
_cell_angle_gamma 109.85467
_cell_volume 118.91870
_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 0.00000 0.50000 0.50000 1.00000
Al1 Al 0.00000 0.00000 0.00000 1.00000
H1 H 0.62353 0.73841 0.50486 1.00000
H2 H 0.75559 0.24580 0.25960 1.00000
H3 H 0.37647 0.26159 0.49514 1.00000
H4 H 0.10061 0.87714 0.32483 1.00000
H5 H 0.89939 0.12286 0.67517 1.00000
H6 H 0.38026 0.55035 0.21886 1.00000
H7 H 0.61974 0.44965 0.78114 1.00000
H8 H 0.24441 0.75420 0.74040 1.00000
Pt1 Pt 0.57062 0.89155 0.25274 1.00000
Pt2 Pt 0.42938 0.10845 0.74726 1.00000
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