Basic Information
Formula
NdInRh
MP-ID
mp-31330
Elements
3
Sites
9
Density
8.9342
g/cm³
Volume
201.83
ų
Cell a
7.5809
Å
Cell b
7.5809
Å
Cell c
4.0552
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P-62m
Point Group
-6m2
Crystal System
Hexagonal
Bravais Lattice
hP
Stability
Yes
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 |
|---|---|---|---|
| 23.47 | 3.7905 | 1.1 | (2,-1,-1,0) |
| 27.17 | 3.2826 | 6.0 | (2,0,-2,0) |
| 32.33 | 2.7691 | 100.0 | (2,-1,-1,1) |
| 35.17 | 2.5514 | 95.3 | (2,0,-2,1) |
| 36.20 | 2.4814 | 52.2 | (3,-1,-2,0) |
| 41.25 | 2.1884 | 32.1 | (3,0,-3,0) |
| 42.72 | 2.1166 | 8.5 | (3,-1,-2,1) |
| 42.72 | 2.1166 | 17.0 | (2,1,-3,1) |
| 44.69 | 2.0276 | 27.4 | (0,0,0,2) |
| 48.00 | 1.8952 | 4.2 | (4,-2,-2,0) |
| 50.10 | 1.8209 | 11.5 | (4,-1,-3,0) |
| 53.09 | 1.7250 | 1.9 | (2,0,-2,2) |
| 53.36 | 1.7170 | 1.3 | (2,2,-4,1) |
| 55.30 | 1.6611 | 17.7 | (4,-1,-3,1) |
| 56.03 | 1.6413 | 2.2 | (4,0,-4,0) |
| 56.03 | 1.6413 | 1.1 | (0,4,-4,0) |
| 58.81 | 1.5701 | 24.9 | (3,-1,-2,2) |
| 60.89 | 1.5214 | 1.6 | (4,0,-4,1) |
| 61.57 | 1.5062 | 2.6 | (5,-2,-3,0) |
| 62.44 | 1.4873 | 18.4 | (3,0,-3,2) |
| 65.11 | 1.4327 | 5.7 | (5,-1,-4,0) |
| 66.19 | 1.4119 | 30.2 | (5,-2,-3,1) |
| 67.67 | 1.3846 | 3.0 | (4,-2,-2,2) |
| 69.37 | 1.3548 | 5.7 | (4,-1,-3,2) |
Energy Properties
Formation Energy/atom
-0.69676
eV/atom
Energy/atom
-5.66063
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-26.1770
eV/atom
Volume/atom
22.43
ų
c/a Ratio
0.5349
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
91.094
GPa
GVRH
44.340
GPa
Young's Modulus E
114.450
GPa
Poisson Ratio ν
0.291
Pugh Ratio K/G
2.054
Vickers Hardness Est.
-
GPa
Ductility
Brittle
Anisotropy
-3.330
Lame λ
61.534
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Nd · 0.333
Element Family
N/A
Solute Fraction
0.667
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
C
Score
0.430
Family
Nd-rich Multi-Component
Matrix Element
Nd · 0.333
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-31330
Reference Citation
The crystal structure and related material properties of NdInRh were obtained from the Materials Project database (MP-ID: mp-31330, 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_NdInRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.58092525
_cell_length_b 7.58092492
_cell_length_c 4.05514585
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000147
_symmetry_Int_Tables_number 1
_chemical_formula_structural NdInRh
_chemical_formula_sum 'Nd3 In3 Rh3'
_cell_volume 201.82804537
_cell_formula_units_Z 3
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
Nd Nd0 1 0.58966462 -0.00000000 0.50000000 1.0
Nd Nd1 1 0.41033538 0.41033538 0.50000000 1.0
Nd Nd2 1 -0.00000000 0.58966462 0.50000000 1.0
In In3 1 0.24989039 -0.00000000 -0.00000000 1.0
In In4 1 0.75010961 0.75010961 0.00000000 1.0
In In5 1 0.00000000 0.24989039 -0.00000000 1.0
Rh Rh6 1 -0.00000000 -0.00000000 0.50000000 1.0
Rh Rh7 1 0.33333300 0.66666700 -0.00000000 1.0
Rh Rh8 1 0.66666700 0.33333300 0.00000000 1.0
