Na(SiPt)4

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3200669 · Space group: I4 (#79)

Materials Project API

Basic Information

Formula

Na(SiPt)4

MP-ID

mp-3200669

Elements

Sites

Density

9.5563

g/cm³

Volume

159.11

Å³

Cell a

6.3008

Cell b

6.3008

Cell c

6.3008

α Angle

97.77

β Angle

97.77

γ Angle

136.84

Space Group

Point Group

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
15.12	5.8592	25.0	(0,0,1)
21.45	4.1431	46.4	(1,-1,1)
30.51	2.9296	10.1	(0,0,2)
30.90	2.8943	100.0	(1,0,1)
34.22	2.6203	28.8	(1,-1,2)
38.86	2.3174	22.2	(1,1,-1)
41.92	2.1549	2.8	(2,0,-1)
41.92	2.1549	2.8	(1,1,-2)
43.70	2.0715	4.1	(2,-2,2)
43.98	2.0589	5.0	(1,0,2)
43.98	2.0589	1.7	(2,-3,1)
44.81	2.0225	17.2	(2,0,0)
46.50	1.9531	20.7	(0,0,3)
49.43	1.8438	41.7	(2,-1,2)
49.43	1.8438	13.9	(2,-3,2)
50.20	1.8175	1.9	(1,1,1)
50.20	1.8175	1.9	(1,1,-3)
52.73	1.7359	8.3	(2,0,1)
52.73	1.7359	5.1	(0,2,-3)
59.89	1.5444	1.1	(3,-1,1)
59.89	1.5444	3.2	(3,-1,-3)
62.16	1.4934	14.8	(1,1,2)
62.16	1.4934	4.9	(2,-4,1)
63.73	1.4603	6.3	(2,-1,3)

Get direct link

Energy Properties

Formation Energy/atom

-0.75196

eV/atom

Energy/atom

-27.93086

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-27.9309

eV/atom

Volume/atom

17.68

Å³

c/a Ratio

1.0000

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

Si · 0.444

Element Family

Metalloid-Nonmetal

Solute Fraction

0.556

Interstitial Fraction

0.444

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9650

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.0227

J/mol·K

Ω Parameter

0.4268

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

15.599%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4062

smaller = more stable mixing

VEC

6.333

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-31.921

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8783

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.498

Family

Si-rich Multi-Component

Matrix Element

Si · 0.444

Related Tasks

Related computation task IDs (1)

aaahacsr

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3200669

Reference Citation

The crystal structure and related material properties of Na(SiPt)4 were obtained from the Materials Project database (MP-ID: mp-3200669, 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…

Style: Ball & Stick | Drag to rotate · Scroll to zoom · Right-click to pan

Raw CIF Data

# generated using pymatgen
data_Na(SiPt)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.30082720
_cell_length_b   6.30082658
_cell_length_c   6.30082729
_cell_angle_alpha   97.77395943
_cell_angle_beta   97.77395892
_cell_angle_gamma   136.84193093
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na(SiPt)4
_chemical_formula_sum   'Na1 Si4 Pt4'
_cell_volume   159.11047272
_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
  Na  Na0  1  0.28884805  0.28884805  0.00000000  1.0
  Si  Si1  1  0.38782531  0.88724691  0.27227117  1.0
  Si  Si2  1  0.61497474  0.11555314  0.72772883  1.0
  Si  Si3  1  0.11555314  0.38782531  0.50057840  1.0
  Si  Si4  1  0.88724691  0.61497474  0.49942160  1.0
  Pt  Pt5  1  0.17637840  0.67765309  0.85125657  1.0
  Pt  Pt6  1  0.82639753  0.32512184  0.14874343  1.0
  Pt  Pt7  1  0.32512184  0.17637840  0.49872431  1.0
  Pt  Pt8  1  0.67765309  0.82639753  0.50127569  1.0

Get direct link