Zn2H8Ir3
Alexandria ALEXAlex-ID: agm006383452 · Space group: P2/m (#10)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C8_321_spg10
ZnH5Ir Zn2H5Ir Ir
2024-03-01 01:30:43.874135
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006383452).
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 agm006383452
data_agm006383452
_cell_length_a 2.78209
_cell_length_b 4.55804
_cell_length_c 9.88576
_cell_angle_alpha 87.16044
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 125.20627
_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 0.50000 0.77717 0.24538 1.00000
Zn2 Zn 0.50000 0.22283 0.75462 1.00000
H1 H 0.00000 0.90850 0.58475 1.00000
H2 H 0.00000 0.09150 0.41525 1.00000
H3 H 0.00000 0.72889 0.03264 1.00000
H4 H 0.00000 0.27111 0.96736 1.00000
H5 H 0.50000 0.61207 0.63297 1.00000
H6 H 0.50000 0.22474 0.14391 1.00000
H7 H 0.50000 0.77526 0.85609 1.00000
H8 H 0.50000 0.38793 0.36703 1.00000
Ir1 Ir 0.50000 0.50000 0.00000 1.00000
Ir2 Ir 0.00000 0.26439 0.27160 1.00000
Ir3 Ir 0.00000 0.73561 0.72840 1.00000
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