HfIn(H4Os)2
Alexandria ALEXAlex-ID: agm007451048 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_14_spg1
HfH4Os InH6Os Os In
2025-05-27 07:35:01
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007451048).
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 agm007451048
data_agm007451048
_cell_length_a 4.42749
_cell_length_b 4.59449
_cell_length_c 5.74115
_cell_angle_alpha 105.93153
_cell_angle_beta 89.09343
_cell_angle_gamma 115.00355
_cell_volume 101.10137
_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 0.00000 0.50000 1.00000
In1 In 0.00000 0.00000 0.00000 1.00000
H1 H 0.10330 0.20964 0.63133 1.00000
H2 H 0.42037 0.61915 0.15183 1.00000
H3 H 0.89670 0.79036 0.36867 1.00000
H4 H 0.57963 0.38085 0.84817 1.00000
H5 H 0.91193 0.33092 0.35050 1.00000
H6 H 0.08807 0.66908 0.64950 1.00000
H7 H 0.39214 0.31209 0.34662 1.00000
H8 H 0.60786 0.68791 0.65338 1.00000
Os1 Os 0.68668 0.39967 0.16021 1.00000
Os2 Os 0.31332 0.60033 0.83979 1.00000
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