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In(H4Os)2

Alexandria ALEX

Alex-ID: agm007306380 · Space group: Cm (#8)

Alexandria Database API

Basic Information

Formula
In(H4Os)2
Alex-ID
agm007306380
Elements
3
Sites
11
Space group
Cm (#8)
Crystal system
monoclinic
Volume
91.52
ų
Cell a
4.6643
Å
Cell b
4.6643
Å
Cell c
4.6899
Å
α angle
75.44
°
β angle
104.56
°
γ angle
78.03
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
In(H4Os)2
In
1.00 · 9.1%
H
8.00 · 72.7%
Os
2.00 · 18.2%

Energy & Stability

Energy above hull
0.2065
eV/atom
Formation energy
0.1501
eV/atom
Corrected total energy
-49.4964
eV
Raw total energy
-49.4964
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
1.8222
Total magnetisation
-0.0001
μB

Additional Information

Prototype ID

AB2C8_2925_spg8

Decomposition

InH6Os H2 Os

Computed at

2025-05-28 03:44:28

Citation

Alexandria website
https://alexandria.icams.rub.de/
Attribution

The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007306380).

Reference

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

BibTeX 
@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…

Style: Ball & Stick
Raw CIF Data 
# CIF generated by HEAS from Alexandria entry agm007306380
data_agm007306380
_cell_length_a     4.66434
_cell_length_b     4.66434
_cell_length_c     4.68995
_cell_angle_alpha  75.44495
_cell_angle_beta   104.55505
_cell_angle_gamma  78.02575
_cell_volume       91.51516
_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
  In1 In 0.77210 0.22790 0.99973 1.00000
  H1 H 0.28459 0.98033 0.60542 1.00000
  H2 H 0.01967 0.71541 0.60542 1.00000
  H3 H 0.41327 0.58673 0.07741 1.00000
  H4 H 0.25426 0.07005 0.12259 1.00000
  H5 H 0.92995 0.74574 0.12259 1.00000
  H6 H 0.46166 0.53834 0.54968 1.00000
  H7 H 0.09090 0.33066 0.57566 1.00000
  H8 H 0.66934 0.90910 0.57566 1.00000
  Os1 Os 0.75228 0.62694 0.37692 1.00000
  Os2 Os 0.37306 0.24772 0.37692 1.00000
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