In
Traditional Materials TRAMP-ID: mp-973111 · Space group: P6_3/mmc (#194)
Basic Information
Formula
In
MP-ID
mp-973111
Elements
1
Sites
2
Density
7.1838
g/cm³
Volume
53.08
ų
Cell a
3.3355
Å
Cell b
3.3355
Å
Cell c
5.5091
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P6_3/mmc
Point Group
6/mmm
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 20)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 30.96 | 2.8886 | 15.5 | (1,0,-1,0) |
| 30.96 | 2.8886 | 7.8 | (0,1,-1,0) |
| 32.50 | 2.7546 | 27.3 | (0,0,0,2) |
| 35.08 | 2.5583 | 100.0 | (1,0,-1,1) |
| 45.50 | 1.9935 | 10.5 | (1,0,-1,2) |
| 45.50 | 1.9935 | 5.3 | (0,1,-1,2) |
| 55.07 | 1.6677 | 5.9 | (2,-1,-1,0) |
| 55.07 | 1.6677 | 11.7 | (1,1,-2,0) |
| 59.66 | 1.5497 | 20.5 | (1,0,-1,3) |
| 64.52 | 1.4443 | 1.8 | (2,0,-2,0) |
| 65.42 | 1.4266 | 6.9 | (2,-1,-1,2) |
| 65.42 | 1.4266 | 13.7 | (1,1,-2,2) |
| 66.98 | 1.3971 | 9.6 | (2,0,-2,1) |
| 66.98 | 1.3971 | 4.8 | (0,2,-2,1) |
| 68.08 | 1.3773 | 3.0 | (0,0,0,4) |
| 74.13 | 1.2791 | 2.4 | (2,0,-2,2) |
| 74.13 | 1.2791 | 1.2 | (0,2,-2,2) |
| 76.65 | 1.2432 | 3.2 | (1,0,-1,4) |
| 85.54 | 1.1353 | 5.0 | (2,0,-2,3) |
| 85.54 | 1.1353 | 2.5 | (0,2,-2,3) |
Energy Properties
Formation Energy/atom
0.00715
eV/atom
Energy/atom
-22.57144
eV/atom
Energy above Hull
0.0072
eV/atom
Uncorrected Energy
-22.5714
eV/atom
Volume/atom
26.54
ų
c/a Ratio
1.6517
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.0000
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
KVRH
35.220
GPa
GVRH
-5.415
GPa
Young's Modulus E
-
GPa
Poisson Ratio ν
-
Pugh Ratio K/G
-6.504
Vickers Hardness Est.
-
GPa
Ductility
Ductile
Anisotropy
-5.733
Lame λ
38.830
GPa
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
In · 1.000
Element Family
N/A
Solute Fraction
0.000
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.568
Family
Pure Metal
Matrix Element
In · 1.000
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-973111
Reference Citation
The crystal structure and related material properties of In were obtained from the Materials Project database (MP-ID: mp-973111, 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_In
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.33548513
_cell_length_b 3.33548443
_cell_length_c 5.50914292
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000700
_symmetry_Int_Tables_number 1
_chemical_formula_structural In
_chemical_formula_sum In2
_cell_volume 53.08020204
_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 0.33333300 0.66666600 0.24999900 1.0
In In1 1 0.66666600 0.33333300 0.75000000 1.0
