Nd4Si10(OsPt)3

High-Entropy Materials HEA

MP-ID: mp-3296729 · Space group: Cm (#8)

Materials Project API

Basic Information

Formula

Nd4Si10(OsPt)3

MP-ID

mp-3296729

Elements

Sites

Density

9.6377

g/cm³

Volume

346.96

Å³

Cell a

8.2095

Cell b

8.2346

Cell c

8.2363

α Angle

137.36

β Angle

105.54

γ Angle

89.82

Space Group

Point Group

Crystal System

Monoclinic

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
15.22	5.8230	11.6	(1,1,-1)
17.83	4.9747	1.6	(1,-1,1)
23.48	3.7888	13.8	(0,2,-2)
23.56	3.7759	14.0	(2,0,0)
24.46	3.6393	21.4	(0,1,-2)
24.47	3.6374	21.4	(1,-2,1)
24.50	3.6338	21.5	(1,0,1)
24.51	3.6314	21.3	(2,-1,0)
24.59	3.6207	74.5	(1,2,-2)
24.65	3.6122	76.7	(2,1,-1)
27.95	3.1926	35.3	(1,-2,2)
28.00	3.1867	34.2	(2,-1,1)
29.84	2.9944	62.8	(1,-1,-1)
30.71	2.9115	52.3	(2,2,-2)
32.14	2.7852	29.9	(1,0,-2)
32.15	2.7845	29.6	(1,-2,0)
32.15	2.7842	30.1	(0,1,1)
32.16	2.7830	30.5	(2,-1,-1)
32.82	2.7292	2.5	(1,2,-3)
32.82	2.7285	2.4	(0,3,-2)
32.90	2.7222	1.5	(2,1,0)
32.92	2.7210	1.5	(3,0,-1)
33.65	2.6631	12.1	(0,2,0)
33.66	2.6628	11.7	(2,0,-2)

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Energy Properties

Formation Energy/atom

-0.94395

eV/atom

Energy/atom

-26.88537

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-26.8854

eV/atom

Volume/atom

17.35

Å³

c/a Ratio

1.0033

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0001

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

Si · 0.500

Element Family

Metalloid-Nonmetal

Solute Fraction

0.500

Interstitial Fraction

0.500

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.2376

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

10.2894

J/mol·K

Ω Parameter

0.5974

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

18.833%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3849

smaller = more stable mixing

VEC

5.300

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-32.809

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8927

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfovh

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3296729

Reference Citation

The crystal structure and related material properties of Nd4Si10(OsPt)3 were obtained from the Materials Project database (MP-ID: mp-3296729, 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_Nd4Si10(OsPt)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.20947954
_cell_length_b   8.23457630
_cell_length_c   8.23628852
_cell_angle_alpha   137.35690813
_cell_angle_beta   105.54485233
_cell_angle_gamma   89.81967206
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd4Si10(OsPt)3
_chemical_formula_sum   'Nd4 Si10 Os3 Pt3'
_cell_volume   346.96378604
_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  0.86184320  0.62902096  0.23346197  1.0
  Nd  Nd1  1  0.13986336  0.37103531  0.76846166  1.0
  Nd  Nd2  1  0.39813556  0.13156863  0.26700627  1.0
  Nd  Nd3  1  0.60270612  0.87027901  0.73197633  1.0
  Si  Si4  1  0.49452676  0.75413959  0.25406110  1.0
  Si  Si5  1  0.49414295  0.24015487  0.74023308  1.0
  Si  Si6  1  0.22199046  0.97324306  0.74397223  1.0
  Si  Si7  1  0.77618821  0.52329888  0.74586841  1.0
  Si  Si8  1  0.77622479  0.03020568  0.25288187  1.0
  Si  Si9  1  0.22189870  0.47776019  0.24899239  1.0
  Si  Si10  1  0.05168573  0.89777781  0.15402547  1.0
  Si  Si11  1  0.95764109  0.10341816  0.85386649  1.0
  Si  Si12  1  0.74832993  0.39540167  0.35339306  1.0
  Si  Si13  1  0.25157435  0.60356119  0.64808879  1.0
  Os  Os14  1  0.00022416  0.75046234  0.75216669  1.0
  Os  Os15  1  0.00012645  0.24832620  0.24958205  1.0
  Os  Os16  1  0.24649853  0.85905035  0.38606035  1.0
  Pt  Pt17  1  0.75180431  0.13941888  0.61284456  1.0
  Pt  Pt18  1  0.47378430  0.36103193  0.11249376  1.0
  Pt  Pt19  1  0.53081005  0.64084532  0.89056247  1.0

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