InH
Traditional Materials TRAMP-ID: mp-1184767 · Space group: P6_3mc (#186)
Basic Information
Formula
InH
MP-ID
mp-1184767
Elements
2
Sites
4
Density
5.5950
g/cm³
Volume
68.75
ų
Cell a
3.4309
Å
Cell b
3.4309
Å
Cell c
6.7445
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P6_3mc
Point Group
6mm
Crystal System
Hexagonal
Bravais Lattice
hP
Stability
No
Packing Fraction
0.7405
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 26.43 | 3.3723 | 38.9 | (0,0,0,2) |
| 30.08 | 2.9712 | 22.0 | (1,0,-1,0) |
| 32.94 | 2.7191 | 100.0 | (1,0,-1,1) |
| 40.46 | 2.2293 | 18.7 | (1,0,-1,2) |
| 50.94 | 1.7928 | 9.7 | (1,-1,0,3) |
| 50.94 | 1.7928 | 19.3 | (1,0,-1,3) |
| 53.41 | 1.7154 | 11.1 | (2,-1,-1,0) |
| 53.41 | 1.7154 | 5.6 | (1,1,-2,0) |
| 54.41 | 1.6861 | 5.2 | (0,0,0,4) |
| 60.56 | 1.5290 | 14.7 | (2,-1,-1,2) |
| 60.56 | 1.5290 | 7.3 | (1,1,-2,2) |
| 62.52 | 1.4856 | 1.7 | (2,0,-2,0) |
| 63.43 | 1.4665 | 4.8 | (1,0,-1,4) |
| 64.20 | 1.4508 | 4.6 | (2,-2,0,1) |
| 64.20 | 1.4508 | 9.2 | (2,0,-2,1) |
| 69.09 | 1.3595 | 1.2 | (2,-2,0,2) |
| 69.09 | 1.3595 | 2.5 | (2,0,-2,2) |
| 76.92 | 1.2394 | 2.8 | (2,-2,0,3) |
| 76.92 | 1.2394 | 5.5 | (2,0,-2,3) |
| 77.75 | 1.2283 | 2.6 | (1,-1,0,5) |
| 77.75 | 1.2283 | 5.3 | (1,0,-1,5) |
| 79.75 | 1.2025 | 6.6 | (2,-1,-1,4) |
| 79.75 | 1.2025 | 3.3 | (1,1,-2,4) |
| 86.60 | 1.1241 | 1.4 | (0,0,0,6) |
Energy Properties
Formation Energy/atom
0.37784
eV/atom
Energy/atom
-12.63901
eV/atom
Energy above Hull
0.3778
eV/atom
Uncorrected Energy
-2.6049
eV/atom
Volume/atom
17.19
ų
c/a Ratio
1.9658
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0008
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000010
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
In · 0.500
Element Family
N/A
Solute Fraction
0.500
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.344
Family
Binary Alloy
Matrix Element
In · 0.500
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1184767
Reference Citation
The crystal structure and related material properties of InH were obtained from the Materials Project database (MP-ID: mp-1184767, database version v2026.04.13).
Literature Citation
Horton, M.K., Huck, P., Yang, R.X. et al. Accelerated data-driven materials science with the Materials Project. Nat. Mater. 24, 1522–1532 (2025). https://doi.org/10.1038/s41563-025-02272-0
3D Crystal Structure Rendering
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Raw CIF Data
# generated using pymatgen
data_InH
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.43086454
_cell_length_b 3.43086454
_cell_length_c 6.74450600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00001034
_symmetry_Int_Tables_number 1
_chemical_formula_structural InH
_chemical_formula_sum 'In2 H2'
_cell_volume 68.75240163
_cell_formula_units_Z 2
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
In In0 1 0.66666700 0.33333300 0.84357600 1.0
In In1 1 0.33333300 0.66666700 0.34357600 1.0
H H2 1 0.66666700 0.33333300 0.53142400 1.0
H H3 1 0.33333300 0.66666700 0.03142400 1.0
