Na4BiSb3Pt4

High-Entropy Materials HEA

MP-ID: mp-3294824 · Space group: Pm (#6)

Materials Project API

Basic Information

Formula

Na4BiSb3Pt4

MP-ID

mp-3294824

Elements

Sites

Density

9.0770

g/cm³

Volume

264.63

Å³

Cell a

4.5724

Cell b

7.5072

Cell c

7.7095

α Angle

90.27

β Angle

90.00

γ Angle

90.00

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
11.48	7.7095	1.5	(0,0,1)
11.79	7.5071	1.7	(0,1,0)
16.44	5.3910	47.7	(0,1,-1)
16.52	5.3660	41.0	(0,1,1)
19.41	4.5724	1.2	(1,0,0)
22.61	3.9327	100.0	(1,0,1)
22.77	3.9051	1.2	(1,1,0)
23.07	3.8547	26.6	(0,0,2)
23.70	3.7536	66.4	(0,2,0)
25.55	3.4871	5.8	(1,1,-1)
25.60	3.4803	2.6	(1,1,1)
25.93	3.4356	4.0	(0,1,-2)
26.03	3.4226	3.2	(0,1,2)
26.36	3.3810	2.7	(0,2,-1)
30.33	2.9472	2.1	(1,0,2)
32.60	2.7467	25.1	(1,1,-2)
32.68	2.7400	41.4	(1,1,2)
32.95	2.7185	40.8	(1,2,-1)
33.03	2.7121	23.6	(1,2,1)
33.24	2.6955	5.4	(0,2,-2)
33.40	2.6830	11.0	(0,2,2)
37.74	2.3834	38.0	(0,3,-1)
37.85	2.3769	40.6	(0,3,1)
38.92	2.3140	2.1	(1,2,2)

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Energy Properties

Formation Energy/atom

-0.55423

eV/atom

Energy/atom

-30.20663

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-30.2066

eV/atom

Volume/atom

22.05

Å³

c/a Ratio

1.6861

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

Na · 0.333

Element Family

Alkali-AlkEarth

Solute Fraction

0.667

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.2861

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

10.6923

J/mol·K

Ω Parameter

0.2483

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

13.043%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.5885

smaller = more stable mixing

VEC

5.333

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-46.315

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9277

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfmaa

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3294824

Reference Citation

The crystal structure and related material properties of Na4BiSb3Pt4 were obtained from the Materials Project database (MP-ID: mp-3294824, 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_Na4BiSb3Pt4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.57238264
_cell_length_b   7.50720447
_cell_length_c   7.70953300
_cell_angle_alpha   90.26592302
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na4BiSb3Pt4
_chemical_formula_sum   'Na4 Bi1 Sb3 Pt4'
_cell_volume   264.63312536
_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  0.75000000  0.98785546  0.68326970  1.0
  Na  Na1  1  0.25000000  0.00709348  0.32092678  1.0
  Na  Na2  1  0.75000000  0.49155553  0.82189947  1.0
  Na  Na3  1  0.25000000  0.51498664  0.17518613  1.0
  Bi  Bi4  1  0.75000000  0.32403636  0.41141356  1.0
  Sb  Sb5  1  0.25000000  0.17216044  0.91640476  1.0
  Sb  Sb6  1  0.25000000  0.67623500  0.58421694  1.0
  Sb  Sb7  1  0.75000000  0.82079119  0.08472783  1.0
  Pt  Pt8  1  0.25000000  0.81010587  0.90351892  1.0
  Pt  Pt9  1  0.25000000  0.31755777  0.60961342  1.0
  Pt  Pt10  1  0.75000000  0.69924861  0.40434110  1.0
  Pt  Pt11  1  0.75000000  0.17837265  0.08448138  1.0

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