InC
Traditional Materials TRAMP-ID: mp-1184819 · Space group: P6_3mc (#186)
Basic Information
Formula
InC
MP-ID
mp-1184819
Elements
2
Sites
4
Density
6.0719
g/cm³
Volume
69.37
ų
Cell a
3.6353
Å
Cell b
3.6353
Å
Cell c
6.0614
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 |
|---|---|---|---|
| 28.35 | 3.1482 | 31.4 | (1,0,-1,0) |
| 29.47 | 3.0307 | 31.1 | (0,0,0,2) |
| 32.04 | 2.7939 | 100.0 | (1,0,-1,1) |
| 41.35 | 2.1834 | 6.1 | (1,-1,0,2) |
| 41.35 | 2.1834 | 12.3 | (1,0,-1,2) |
| 50.19 | 1.8176 | 24.1 | (2,-1,-1,0) |
| 53.92 | 1.7004 | 28.1 | (1,0,-1,3) |
| 58.65 | 1.5741 | 1.2 | (2,-2,0,0) |
| 58.65 | 1.5741 | 2.4 | (2,0,-2,0) |
| 59.28 | 1.5588 | 24.6 | (2,-1,-1,2) |
| 60.79 | 1.5236 | 5.2 | (2,-2,0,1) |
| 60.79 | 1.5236 | 10.4 | (2,0,-2,1) |
| 61.16 | 1.5154 | 3.2 | (0,0,0,4) |
| 66.99 | 1.3969 | 4.2 | (2,0,-2,2) |
| 68.75 | 1.3654 | 1.1 | (1,-1,0,4) |
| 68.75 | 1.3654 | 2.3 | (1,0,-1,4) |
| 76.75 | 1.2418 | 3.2 | (2,-2,0,3) |
| 76.75 | 1.2418 | 6.4 | (2,0,-2,3) |
| 80.76 | 1.1899 | 1.9 | (3,-1,-2,0) |
| 82.64 | 1.1676 | 8.7 | (3,-1,-2,1) |
| 82.64 | 1.1676 | 4.3 | (2,1,-3,1) |
| 82.96 | 1.1639 | 5.5 | (2,-1,-1,4) |
| 82.96 | 1.1639 | 2.7 | (1,1,-2,4) |
| 85.91 | 1.1313 | 7.0 | (1,0,-1,5) |
Energy Properties
Formation Energy/atom
1.45578
eV/atom
Energy/atom
-14.80713
eV/atom
Energy above Hull
1.4558
eV/atom
Uncorrected Energy
-4.5344
eV/atom
Volume/atom
17.34
ų
c/a Ratio
1.6674
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0075
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000110
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
0.500
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.424
Family
Binary Alloy
Matrix Element
In · 0.500
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1184819
Reference Citation
The crystal structure and related material properties of InC were obtained from the Materials Project database (MP-ID: mp-1184819, 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_InC
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.63526042
_cell_length_b 3.63526042
_cell_length_c 6.06141800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000773
_symmetry_Int_Tables_number 1
_chemical_formula_structural InC
_chemical_formula_sum 'In2 C2'
_cell_volume 69.37067004
_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 0.87136000 1.0
In In1 1 0.33333300 0.66666700 0.37136000 1.0
C C2 1 0.66666700 0.33333300 0.50364000 1.0
C C3 1 0.33333300 0.66666700 0.00364000 1.0
