Zr2H3Pt
Alexandria ALEXAlex-ID: agm005806811 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_927_spg12
Zr7Pt10 ZrH2 ZrPt3
2023-07-10 00:02:42.740639
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005806811).
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 agm005806811
data_agm005806811
_cell_length_a 3.39616
_cell_length_b 6.98951
_cell_length_c 6.70410
_cell_angle_alpha 114.11952
_cell_angle_beta 90.00018
_cell_angle_gamma 104.06034
_cell_volume 140.00483
_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 0.46289 0.92578 0.71492 1.00000
Zr2 Zr 0.53711 0.07422 0.28508 1.00000
Zr3 Zr 0.78736 0.57472 0.26552 1.00000
Zr4 Zr 0.21264 0.42528 0.73448 1.00000
H1 H 0.30076 0.60152 0.49921 1.00000
H2 H 0.92231 0.84462 0.54560 1.00000
H3 H 0.59314 0.18627 0.63337 1.00000
H4 H 0.40686 0.81373 0.36663 1.00000
H5 H 0.07769 0.15538 0.45440 1.00000
H6 H 0.69924 0.39848 0.50079 1.00000
Pt1 Pt 0.88625 0.77251 0.96050 1.00000
Pt2 Pt 0.11375 0.22749 0.03950 1.00000
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