SrZr(H3Au)2
Alexandria ALEXAlex-ID: agm007688253 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_3011_spg1
Zr4H15 Sr2(H2Au)3 SrAu5 ZrH2
2025-04-29 23:29:23
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007688253).
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 agm007688253
data_agm007688253
_cell_length_a 3.70208
_cell_length_b 6.76610
_cell_length_c 5.93510
_cell_angle_alpha 90.74050
_cell_angle_beta 79.96312
_cell_angle_gamma 74.73187
_cell_volume 140.95318
_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
Sr1 Sr 0.49134 0.41795 0.52983 1.00000
Zr1 Zr 0.04938 0.03645 0.89163 1.00000
H1 H 0.02230 0.72538 0.80135 1.00000
H2 H 0.49044 0.20710 0.85705 1.00000
H3 H 0.53939 0.48451 0.09316 1.00000
H4 H 0.97873 0.23068 0.18965 1.00000
H5 H 0.53029 0.95122 0.05522 1.00000
H6 H 0.39385 0.58815 0.13861 1.00000
Au1 Au 0.75048 0.82104 0.59068 1.00000
Au2 Au 0.25380 0.03752 0.35281 1.00000
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