Basic Information
Formula
Nd9URh8
MP-ID
mp-3293324
Elements
3
Sites
36
Density
9.1679
g/cm³
Volume
854.71
ų
Cell a
7.5851
Å
Cell b
7.4839
Å
Cell c
15.0572
Å
α Angle
90.47
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
P2_1
Point Group
2
Crystal System
Monoclinic
Bravais Lattice
mP
Stability
No
Packing Fraction
-
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 |
|---|---|---|---|
| 5.87 | 15.0567 | 7.1 | (0,0,1) |
| 11.76 | 7.5284 | 2.2 | (0,0,2) |
| 11.83 | 7.4836 | 6.0 | (0,1,0) |
| 13.07 | 6.7741 | 5.0 | (1,0,1) |
| 13.17 | 6.7237 | 5.8 | (0,1,-1) |
| 16.59 | 5.3433 | 7.9 | (1,0,2) |
| 16.63 | 5.3296 | 2.2 | (0,1,-2) |
| 16.64 | 5.3272 | 6.5 | (1,1,0) |
| 17.67 | 5.0189 | 1.4 | (0,0,3) |
| 17.69 | 5.0129 | 2.8 | (1,1,1) |
| 20.37 | 4.3607 | 2.3 | (1,1,-2) |
| 21.23 | 4.1856 | 1.0 | (1,0,3) |
| 23.46 | 3.7926 | 2.3 | (2,0,0) |
| 24.20 | 3.6777 | 6.0 | (2,0,1) |
| 26.31 | 3.3870 | 2.2 | (2,0,2) |
| 26.35 | 3.3829 | 7.1 | (2,1,0) |
| 26.51 | 3.3619 | 1.1 | (0,2,-2) |
| 26.56 | 3.3557 | 8.0 | (1,2,0) |
| 26.69 | 3.3398 | 1.2 | (0,2,2) |
| 26.99 | 3.3033 | 5.3 | (2,1,-1) |
| 27.04 | 3.2980 | 4.7 | (2,1,1) |
| 27.18 | 3.2805 | 4.1 | (1,2,-1) |
| 27.27 | 3.2702 | 4.0 | (1,2,1) |
| 28.98 | 3.0814 | 1.4 | (2,1,2) |
Energy Properties
Formation Energy/atom
-0.67048
eV/atom
Energy/atom
-30.54792
eV/atom
Energy above Hull
0.0016
eV/atom
Uncorrected Energy
-30.5479
eV/atom
Volume/atom
23.74
ų
c/a Ratio
1.9851
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0588
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000070
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Nd · 0.500
Element Family
Lanthanide
Solute Fraction
0.500
Interstitial Fraction
0.000
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.8676
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
7.2129
J/mol·K
Ω Parameter
0.3872
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
15.420%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.5571
smaller = more stable mixing
VEC
5.824
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-32.055
kJ/mol; negative = exothermic mixing
Entropy Norm
0.7897
SS Former
0
Phase Tendency
AM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3293324
Reference Citation
The crystal structure and related material properties of Nd9URh8 were obtained from the Materials Project database (MP-ID: mp-3293324, 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_Nd9URh8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.58510431
_cell_length_b 7.48389354
_cell_length_c 15.05721759
_cell_angle_alpha 90.47408628
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Nd9URh8
_chemical_formula_sum 'Nd18 U2 Rh16'
_cell_volume 854.71045870
_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
Nd Nd0 1 0.33508457 0.83513633 0.11984785 1.0
Nd Nd1 1 0.83508457 0.66486367 0.38015215 1.0
Nd Nd2 1 0.33692696 0.83276656 0.37885704 1.0
Nd Nd3 1 0.83692696 0.66723344 0.12114296 1.0
Nd Nd4 1 0.65825050 0.16722843 0.87993008 1.0
Nd Nd5 1 0.15825050 0.33277157 0.62006992 1.0
Nd Nd6 1 0.51619013 0.68042460 0.59056184 1.0
Nd Nd7 1 0.01619013 0.81957540 0.90943816 1.0
Nd Nd8 1 0.49060231 0.31764219 0.09671577 1.0
Nd Nd9 1 0.99060231 0.18235781 0.40328423 1.0
Nd Nd10 1 0.48391038 0.31832804 0.40917150 1.0
Nd Nd11 1 0.98391038 0.18167196 0.09082850 1.0
Nd Nd12 1 0.50813357 0.67830713 0.91152960 1.0
Nd Nd13 1 0.00813357 0.82169287 0.58847040 1.0
Nd Nd14 1 0.81706801 0.52460033 0.74997722 1.0
Nd Nd15 1 0.31706801 0.97539967 0.75002278 1.0
Nd Nd16 1 0.17503941 0.48903491 0.24979854 1.0
Nd Nd17 1 0.67503941 0.01096509 0.25020146 1.0
U U18 1 0.65229326 0.15929706 0.62529302 1.0
U U19 1 0.15229326 0.34070294 0.87470698 1.0
Rh Rh20 1 0.69738602 0.98073587 0.47768668 1.0
Rh Rh21 1 0.19738602 0.51926413 0.02231332 1.0
Rh Rh22 1 0.29454481 0.07374325 0.96002860 1.0
Rh Rh23 1 0.79454481 0.42625675 0.53997140 1.0
Rh Rh24 1 0.33639845 0.03158109 0.54684702 1.0
Rh Rh25 1 0.83639845 0.46841891 0.95315298 1.0
Rh Rh26 1 0.66565546 0.96748616 0.04091558 1.0
Rh Rh27 1 0.16565546 0.53251384 0.45908442 1.0
Rh Rh28 1 0.47286968 0.36188759 0.73948727 1.0
Rh Rh29 1 0.97286968 0.13811241 0.76051273 1.0
Rh Rh30 1 0.54068314 0.60018555 0.25242309 1.0
Rh Rh31 1 0.04068314 0.89981445 0.24757691 1.0
Rh Rh32 1 0.71136486 0.89653020 0.73429183 1.0
Rh Rh33 1 0.21136486 0.60346980 0.76570817 1.0
Rh Rh34 1 0.30759949 0.14449135 0.25191441 1.0
Rh Rh35 1 0.80759949 0.35550865 0.24808559 1.0
