Nd8SnPd23Pt

High-Entropy Materials HEA

MP-ID: mp-3293515 · Space group: P4mm (#99)

Materials Project API

Basic Information

Formula

Nd8SnPd23Pt

MP-ID

mp-3293515

Elements

Sites

Density

10.6819

g/cm³

Volume

608.66

Å³

Cell a

8.4768

Cell b

8.4737

Cell c

8.4737

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

P4mm

Point Group

4mm

Crystal System

Tetragonal

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
29.82	2.9965	3.1	(2,2,0)
29.82	2.9959	2.8	(0,2,2)
31.68	2.8246	1.2	(0,3,0)
36.74	2.4464	100.0	(2,2,2)
38.29	2.3508	1.9	(3,2,0)
38.29	2.3504	2.4	(2,3,0)
38.30	2.3502	1.2	(0,3,2)
39.79	2.2652	1.1	(3,2,1)
39.80	2.2648	1.1	(1,3,2)
42.67	2.1192	18.4	(4,0,0)
42.68	2.1184	36.8	(0,4,0)
44.05	2.0556	2.1	(3,2,2)
44.06	2.0554	5.2	(2,3,2)
45.40	1.9976	1.0	(3,3,0)
50.51	1.8069	1.8	(3,3,2)
61.94	1.4982	20.9	(4,4,0)
61.95	1.4980	10.5	(0,4,4)
70.25	1.3398	1.3	(0,6,2)
74.21	1.2778	9.9	(6,2,2)
74.24	1.2775	19.7	(2,6,2)
78.14	1.2232	9.1	(4,4,4)
79.09	1.2109	1.8	(6,3,2)
79.11	1.2106	1.6	(3,6,2)
79.11	1.2106	1.8	(2,6,3)

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Energy Properties

Formation Energy/atom

-0.84940

eV/atom

Energy/atom

-26.29390

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-26.2939

eV/atom

Volume/atom

18.44

Å³

c/a Ratio

0.9996

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0008

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

Pd · 0.697

Element Family

4d-TM

Solute Fraction

0.303

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.8071

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

6.7099

J/mol·K

Ω Parameter

0.2298

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

13.705%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4536

smaller = more stable mixing

VEC

8.121

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-48.632

kJ/mol; negative = exothermic mixing

Entropy Norm

0.5822

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfkbr

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3293515

Reference Citation

The crystal structure and related material properties of Nd8SnPd23Pt were obtained from the Materials Project database (MP-ID: mp-3293515, 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_Nd8SnPd23Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.47677316
_cell_length_b   8.47369066
_cell_length_c   8.47369066
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd8SnPd23Pt
_chemical_formula_sum   'Nd8 Sn1 Pd23 Pt1'
_cell_volume   608.66141717
_cell_formula_units_Z   1
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  0.25203862  0.25238668  0.25238668  1.0
  Nd  Nd1  1  0.74798473  0.74799907  0.74799907  1.0
  Nd  Nd2  1  0.74798473  0.74799907  0.25200093  1.0
  Nd  Nd3  1  0.74798473  0.25200093  0.74799907  1.0
  Nd  Nd4  1  0.25203862  0.25238668  0.74761332  1.0
  Nd  Nd5  1  0.25203862  0.74761332  0.25238668  1.0
  Nd  Nd6  1  0.25203862  0.74761332  0.74761332  1.0
  Nd  Nd7  1  0.74798473  0.25200093  0.25200093  1.0
  Sn  Sn8  1  0.00012250  0.00000000  0.00000000  1.0
  Pd  Pd9  1  0.26638060  0.50000000  0.00000000  1.0
  Pd  Pd10  1  0.73346895  0.50000000  0.00000000  1.0
  Pd  Pd11  1  0.00004769  0.26642449  0.50000000  1.0
  Pd  Pd12  1  0.50013449  0.26636263  0.00000000  1.0
  Pd  Pd13  1  0.00004769  0.73357551  0.50000000  1.0
  Pd  Pd14  1  0.50013449  0.73363737  0.00000000  1.0
  Pd  Pd15  1  0.50013449  0.00000000  0.26636263  1.0
  Pd  Pd16  1  0.26638060  0.00000000  0.50000000  1.0
  Pd  Pd17  1  0.50013449  0.00000000  0.73363737  1.0
  Pd  Pd18  1  0.73346895  0.00000000  0.50000000  1.0
  Pd  Pd19  1  0.00004769  0.50000000  0.26642449  1.0
  Pd  Pd20  1  0.00004769  0.50000000  0.73357551  1.0
  Pd  Pd21  1  0.74497002  0.50000000  0.50000000  1.0
  Pd  Pd22  1  0.49997567  0.25522305  0.50000000  1.0
  Pd  Pd23  1  0.49997567  0.74477695  0.50000000  1.0
  Pd  Pd24  1  0.49997567  0.50000000  0.25522305  1.0
  Pd  Pd25  1  0.49997567  0.50000000  0.74477695  1.0
  Pd  Pd26  1  0.31207747  0.00000000  0.00000000  1.0
  Pd  Pd27  1  0.68816627  0.00000000  0.00000000  1.0
  Pd  Pd28  1  0.99985072  0.31186449  0.00000000  1.0
  Pd  Pd29  1  0.99985072  0.68813551  0.00000000  1.0
  Pd  Pd30  1  0.99985072  0.00000000  0.31186449  1.0
  Pd  Pd31  1  0.99985072  0.00000000  0.68813551  1.0
  Pt  Pt32  1  0.25483400  0.50000000  0.50000000  1.0

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