Zn2H4Ir
Alexandria ALEXAlex-ID: agm007292640 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_5588_spg1
Zn2Ir Zn2H5Ir
2024-05-29 07:46:20.512282
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007292640).
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 agm007292640
data_agm007292640
_cell_length_a 4.62265
_cell_length_b 6.03007
_cell_length_c 5.19327
_cell_angle_alpha 76.52858
_cell_angle_beta 94.46962
_cell_angle_gamma 97.17916
_cell_volume 139.49640
_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 0.61995 0.98119 0.18226 1.00000
Zn2 Zn 0.19495 0.76649 0.51663 1.00000
Zn3 Zn 0.77595 0.16401 0.55773 1.00000
Zn4 Zn 0.86255 0.48272 0.87375 1.00000
H1 H 0.37066 0.72251 0.09260 1.00000
H2 H 0.14429 0.31469 0.44819 1.00000
H3 H 0.91484 0.63345 0.19125 1.00000
H4 H 0.11019 0.16099 0.00665 1.00000
H5 H 0.75323 0.89063 0.83868 1.00000
H6 H 0.51157 0.55092 0.54806 1.00000
H7 H 0.31885 0.03441 0.73405 1.00000
H8 H 0.51455 0.36101 0.02664 1.00000
Ir1 Ir 0.32889 0.32660 0.73763 1.00000
Ir2 Ir 0.07952 0.86040 0.99588 1.00000
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