ZnH4Ir
Alexandria ALEXAlex-ID: agm007465577 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1648_spg15
ZnH5Ir Zn2H5Ir Ir
2024-03-26 04:22:58.473629
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007465577).
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 agm007465577
data_agm007465577
_cell_length_a 3.06706
_cell_length_b 4.97910
_cell_length_c 7.43535
_cell_angle_alpha 87.06441
_cell_angle_beta 101.83958
_cell_angle_gamma 107.95957
_cell_volume 105.70730
_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 0.56273 0.43474 0.84973 1.00000
Zn2 Zn 0.20122 0.09867 0.46006 1.00000
H1 H 0.78455 0.64423 0.08086 1.00000
H2 H 0.90599 0.62538 0.34318 1.00000
H3 H 0.87029 0.23336 0.66361 1.00000
H4 H 0.25101 0.48854 0.16985 1.00000
H5 H 0.57148 0.75634 0.54293 1.00000
H6 H 0.48088 0.10906 0.00929 1.00000
H7 H 0.19177 0.78024 0.76089 1.00000
H8 H 0.56409 0.00743 0.27694 1.00000
Ir1 Ir 0.99752 0.57093 0.58126 1.00000
Ir2 Ir 0.68087 0.33068 0.18764 1.00000
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