Nd(Sn2Rh)2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-669722 · Space group: Pnma (#62)

Materials Project API

Basic Information

Formula

Nd(Sn2Rh)2

MP-ID

mp-669722

Elements

Sites

Density

9.1211

g/cm³

Volume

600.70

Å³

Cell a

4.4889

Cell b

7.2202

Cell c

18.5341

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

Pnma

Point Group

mmm

Crystal System

Orthorhombic

Bravais Lattice

Stability

Yes

Packing Fraction

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å

Diffraction Peaks (Top 24)

2θ	d (Å)	I	hkl
15.56	5.6956	1.5	(0,1,2)
19.15	4.6335	2.9	(0,0,4)
22.80	3.8996	1.4	(0,1,4)
27.04	3.2976	2.9	(0,1,5)
28.64	3.1170	4.8	(0,2,3)
28.90	3.0890	6.9	(0,0,6)
31.41	2.8478	7.5	(0,2,4)
32.18	2.7813	6.5	(1,2,1)
33.28	2.6919	100.0	(1,2,2)
33.73	2.6576	62.8	(1,1,5)
34.69	2.5862	1.8	(0,2,5)
35.27	2.5447	21.1	(1,0,6)
36.13	2.4859	29.5	(0,1,7)
37.40	2.4047	7.2	(1,2,4)
38.35	2.3471	5.7	(0,2,6)
38.87	2.3168	6.9	(0,0,8)
40.18	2.2445	48.8	(2,0,0)
40.21	2.2426	14.4	(0,3,3)
40.24	2.2409	4.5	(1,2,5)
40.91	2.2060	1.4	(0,1,8)
41.53	2.1747	1.1	(1,1,7)
42.32	2.1358	1.1	(0,3,4)
42.33	2.1351	3.6	(0,2,7)
42.62	2.1211	3.1	(1,3,0)

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Energy Properties

Formation Energy/atom

-0.63028

eV/atom

Energy/atom

-5.70671

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-25.8959

eV/atom

Volume/atom

21.45

Å³

c/a Ratio

4.1289

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0000

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Sn · 0.571

Element Family

PostTransition-Noble

Solute Fraction

0.429

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9557

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.9457

J/mol·K

Ω Parameter

0.7862

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

10.423%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3531

smaller = more stable mixing

VEC

5.286

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-11.249

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8699

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.727

Family

Sn-rich Multi-Component

Matrix Element

Sn · 0.571

Related Tasks

Related computation task IDs (3)

aaacbrds aaadvrsl aaagaage

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-669722

Reference Citation

The crystal structure and related material properties of Nd(Sn2Rh)2 were obtained from the Materials Project database (MP-ID: mp-669722, 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

Loading 3D structure…

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Raw CIF Data

# generated using pymatgen
data_Nd(Sn2Rh)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.48891052
_cell_length_b   7.22018300
_cell_length_c   18.53412332
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd(Sn2Rh)2
_chemical_formula_sum   'Nd4 Sn16 Rh8'
_cell_volume   600.70493794
_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
  Nd  Nd0  1  0.25000000  0.00165694  0.85826885  1.0
  Nd  Nd1  1  0.75000000  0.99834306  0.14173115  1.0
  Nd  Nd2  1  0.75000000  0.50165694  0.64173115  1.0
  Nd  Nd3  1  0.25000000  0.49834306  0.35826885  1.0
  Sn  Sn4  1  0.25000000  0.27727745  0.19568862  1.0
  Sn  Sn5  1  0.75000000  0.97641341  0.56657772  1.0
  Sn  Sn6  1  0.75000000  0.30342576  0.81849194  1.0
  Sn  Sn7  1  0.25000000  0.13144168  0.03165858  1.0
  Sn  Sn8  1  0.75000000  0.19657424  0.31849194  1.0
  Sn  Sn9  1  0.25000000  0.47641341  0.93342228  1.0
  Sn  Sn10  1  0.75000000  0.86855832  0.96834142  1.0
  Sn  Sn11  1  0.25000000  0.36855832  0.53165858  1.0
  Sn  Sn12  1  0.25000000  0.69657424  0.18150806  1.0
  Sn  Sn13  1  0.75000000  0.52358659  0.06657772  1.0
  Sn  Sn14  1  0.75000000  0.72272255  0.80431138  1.0
  Sn  Sn15  1  0.25000000  0.02358659  0.43342228  1.0
  Sn  Sn16  1  0.75000000  0.77727745  0.30431138  1.0
  Sn  Sn17  1  0.75000000  0.63144168  0.46834142  1.0
  Sn  Sn18  1  0.25000000  0.22272255  0.69568862  1.0
  Sn  Sn19  1  0.25000000  0.80342576  0.68150806  1.0
  Rh  Rh20  1  0.25000000  0.51665301  0.78751628  1.0
  Rh  Rh21  1  0.25000000  0.74764533  0.03420825  1.0
  Rh  Rh22  1  0.75000000  0.24764533  0.46579175  1.0
  Rh  Rh23  1  0.25000000  0.98334699  0.28751628  1.0
  Rh  Rh24  1  0.25000000  0.75235467  0.53420825  1.0
  Rh  Rh25  1  0.75000000  0.25235467  0.96579175  1.0
  Rh  Rh26  1  0.75000000  0.01665301  0.71248372  1.0
  Rh  Rh27  1  0.75000000  0.48334699  0.21248372  1.0

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