In
Traditional Materials TRAMP-ID: mp-1184511 · Space group: P6_3/mmc (#194)
Basic Information
Formula
In
MP-ID
mp-1184511
Elements
1
Sites
4
Density
7.2062
g/cm³
Volume
105.83
ų
Cell a
3.3638
Å
Cell b
3.3638
Å
Cell c
10.7997
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 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 30.69 | 2.9132 | 7.9 | (1,0,-1,0) |
| 30.69 | 2.9132 | 4.0 | (0,1,-1,0) |
| 31.82 | 2.8126 | 43.1 | (1,0,-1,1) |
| 31.82 | 2.8126 | 21.6 | (0,1,-1,1) |
| 33.18 | 2.6999 | 51.4 | (0,0,0,4) |
| 35.00 | 2.5639 | 100.0 | (1,0,-1,2) |
| 35.00 | 2.5639 | 50.0 | (0,1,-1,2) |
| 39.81 | 2.2646 | 34.8 | (1,0,-1,3) |
| 45.82 | 1.9802 | 5.1 | (1,0,-1,4) |
| 45.82 | 1.9802 | 2.6 | (0,1,-1,4) |
| 52.76 | 1.7351 | 15.0 | (1,0,-1,5) |
| 54.56 | 1.6819 | 12.0 | (2,-1,-1,0) |
| 54.56 | 1.6819 | 24.0 | (1,1,-2,0) |
| 60.46 | 1.5313 | 29.3 | (1,0,-1,6) |
| 64.56 | 1.4435 | 5.3 | (2,0,-2,1) |
| 64.56 | 1.4435 | 2.7 | (0,2,-2,1) |
| 65.37 | 1.4276 | 13.7 | (2,-1,-1,4) |
| 65.37 | 1.4276 | 27.3 | (1,1,-2,4) |
| 66.48 | 1.4063 | 14.6 | (2,0,-2,2) |
| 66.48 | 1.4063 | 7.3 | (0,2,-2,2) |
| 68.86 | 1.3634 | 6.6 | (1,0,-1,7) |
| 69.63 | 1.3503 | 4.2 | (2,0,-2,3) |
| 69.63 | 1.3503 | 2.1 | (0,2,-2,3) |
| 69.65 | 1.3500 | 5.6 | (0,0,0,8) |
Energy Properties
Formation Energy/atom
0.00473
eV/atom
Energy/atom
-22.57386
eV/atom
Energy above Hull
0.0047
eV/atom
Uncorrected Energy
-22.5739
eV/atom
Volume/atom
26.46
ų
c/a Ratio
3.2105
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
Elastic data not available
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
0.570
Family
Pure Metal
Matrix Element
In · 1.000
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1184511
Reference Citation
The crystal structure and related material properties of In were obtained from the Materials Project database (MP-ID: mp-1184511, 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 3.36384432
_cell_length_b 3.36384341
_cell_length_c 10.79970836
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000899
_symmetry_Int_Tables_number 1
_chemical_formula_structural In
_chemical_formula_sum In4
_cell_volume 105.83133601
_cell_formula_units_Z 4
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 0.00000000 -0.00000000 -0.00000000 1.0
In In1 1 0.33333300 0.66666600 0.25000000 1.0
In In2 1 0.00000000 -0.00000000 0.50000000 1.0
In In3 1 0.66666700 0.33333400 0.75000000 1.0
