Co(H3Ir)2
Alexandria ALEXAlex-ID: agm097976261 · Space group: Pmm2 (#25)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_6320_spg6
CoH H2 Ir
2025-04-08 12:55:10
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097976261).
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 agm097976261
data_agm097976261
_cell_length_a 2.85973
_cell_length_b 3.32377
_cell_length_c 7.74236
_cell_angle_alpha 90.52966
_cell_angle_beta 89.99935
_cell_angle_gamma 90.00027
_cell_volume 73.58864
_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
Co1 Co 0.44447 0.50071 0.67493 1.00000
H1 H 0.44443 0.00916 0.02402 1.00000
H2 H 0.94443 0.49473 0.40033 1.00000
H3 H 0.44444 0.00188 0.72882 1.00000
H4 H 0.44445 0.99165 0.34391 1.00000
H5 H 0.94443 0.50707 0.96435 1.00000
H6 H 0.94445 0.99330 0.26078 1.00000
Ir1 Ir 0.94444 0.00540 0.88398 1.00000
Ir2 Ir 0.94444 0.99610 0.46888 1.00000
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