HfAg(H4Ir)2
Alexandria ALEXAlex-ID: agm004875850 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_697_spg12
HfH3Ir Hf2HIr6 H2 Ag
2023-01-01 22:26:58.946935
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004875850).
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 agm004875850
data_agm004875850
_cell_length_a 3.99611
_cell_length_b 4.77614
_cell_length_c 6.54469
_cell_angle_alpha 59.92167
_cell_angle_beta 72.22413
_cell_angle_gamma 65.27011
_cell_volume 97.44891
_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
Hf1 Hf 0.50000 0.50000 0.50000 1.00000
Ag1 Ag 0.00000 0.00000 0.00000 1.00000
H1 H 0.91385 0.56040 0.61191 1.00000
H2 H 0.69982 0.46904 0.13133 1.00000
H3 H 0.08615 0.43960 0.38809 1.00000
H4 H 0.30018 0.53096 0.86867 1.00000
H5 H 0.60658 0.97963 0.33900 1.00000
H6 H 0.39342 0.02037 0.66100 1.00000
H7 H 0.07479 0.97963 0.33900 1.00000
H8 H 0.92521 0.02037 0.66100 1.00000
Ir1 Ir 0.26946 0.28019 0.18089 1.00000
Ir2 Ir 0.73054 0.71981 0.81911 1.00000
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