Cu2NiH7Ir2
Alexandria ALEXAlex-ID: agm006507657 · Space group: Imm2 (#44)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D7_210_spg44
CuH6Ir NiH Cu Ir
2024-02-29 06:08:16.763855
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006507657).
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 agm006507657
data_agm006507657
_cell_length_a 8.37072
_cell_length_b 8.37072
_cell_length_c 2.84674
_cell_angle_alpha 80.22158
_cell_angle_beta 80.22158
_cell_angle_gamma 145.84082
_cell_volume 91.37474
_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
Cu1 Cu 0.22331 0.76591 0.54531 1.00000
Cu2 Cu 0.76591 0.22331 0.54531 1.00000
Ni1 Ni 0.97474 0.97474 0.56128 1.00000
H1 H 0.63760 0.77017 0.33955 1.00000
H2 H 0.48589 0.15023 0.72379 1.00000
H3 H 0.15815 0.94573 0.49142 1.00000
H4 H 0.77017 0.63760 0.33955 1.00000
H5 H 0.15023 0.48589 0.72379 1.00000
H6 H 0.94573 0.15815 0.49142 1.00000
H7 H 0.39563 0.39563 0.14738 1.00000
Ir1 Ir 0.38239 0.61026 0.04576 1.00000
Ir2 Ir 0.61026 0.38239 0.04576 1.00000
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