YAg(H4Ir)2
Alexandria ALEXAlex-ID: agm004875676 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_697_spg12
Ag3H6Ir YH6Ir Ir
2023-01-01 22:27:02.078945
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004875676).
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 agm004875676
data_agm004875676
_cell_length_a 4.38038
_cell_length_b 4.87146
_cell_length_c 6.31165
_cell_angle_alpha 62.96439
_cell_angle_beta 69.69564
_cell_angle_gamma 63.28225
_cell_volume 105.42092
_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
Y1 Y 0.50000 0.50000 0.50000 1.00000
Ag1 Ag 0.00000 0.00000 0.00000 1.00000
H1 H 0.91768 0.52243 0.64222 1.00000
H2 H 0.73313 0.41595 0.11779 1.00000
H3 H 0.08232 0.47757 0.35778 1.00000
H4 H 0.26687 0.58405 0.88221 1.00000
H5 H 0.56628 0.02863 0.33574 1.00000
H6 H 0.43372 0.97137 0.66426 1.00000
H7 H 0.06936 0.02863 0.33574 1.00000
H8 H 0.93064 0.97137 0.66426 1.00000
Ir1 Ir 0.27790 0.28236 0.16183 1.00000
Ir2 Ir 0.72210 0.71764 0.83817 1.00000
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