SrLi4Nd3Pt4

高熵材料 HEA

MP-ID: mp-3293966 · Space group: Pm (#6)

Materials Project API

Basic Information

Formula

SrLi4Nd3Pt4

MP-ID

mp-3293966

Elements

Sites

Density

8.5586

g/cm³

Volume

257.74

Å³

Cell a

4.1305

Cell b

7.2369

Cell c

8.6230

α Angle

89.33

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
10.26	8.6224	6.7	(0,0,1)
12.23	7.2364	5.2	(0,1,0)
15.90	5.5753	19.0	(0,1,1)
16.08	5.5112	8.5	(0,1,-1)
20.60	4.3112	16.0	(0,0,2)
23.90	3.7230	58.1	(0,1,2)
24.15	3.6848	47.9	(0,1,-2)
24.60	3.6182	12.3	(0,2,0)
26.61	3.3504	7.7	(0,2,1)
26.83	3.3225	7.5	(0,2,-1)
26.86	3.3189	66.0	(1,1,1)
26.98	3.3053	77.6	(1,1,-1)
32.11	2.7877	9.5	(0,2,2)
32.37	2.7654	15.9	(1,1,2)
32.49	2.7556	5.4	(0,2,-2)
32.56	2.7497	21.9	(1,1,-2)
32.91	2.7217	10.0	(1,2,0)
33.41	2.6820	16.2	(0,1,3)
33.69	2.6605	10.2	(0,1,-3)
34.47	2.6021	75.0	(1,2,1)
34.65	2.5889	100.0	(1,2,-1)
38.15	2.3592	46.4	(1,0,3)
38.64	2.3301	1.7	(0,3,1)
38.89	2.3159	1.1	(0,3,-1)

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Energy Properties

Formation Energy/atom

-0.82074

eV/atom

Energy/atom

-27.39552

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-27.3955

eV/atom

Volume/atom

21.48

Å³

c/a Ratio

2.0876

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

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Li · 0.333

Element Family

Alkali-AlkEarth

Solute Fraction

0.667

Interstitial Fraction

0.000

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

0.2004

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

13.381%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.5900

smaller = more stable mixing

VEC

4.583

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-66.334

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9277

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfkta

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3293966

Reference Citation

The crystal structure and related material properties of SrLi4Nd3Pt4 were obtained from the Materials Project database (MP-ID: mp-3293966, 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_SrLi4Nd3Pt4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.13054043
_cell_length_b   7.23689252
_cell_length_c   8.62301219
_cell_angle_alpha   89.32749027
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrLi4Nd3Pt4
_chemical_formula_sum   'Sr1 Li4 Nd3 Pt4'
_cell_volume   257.74371455
_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
  Sr  Sr0  1  0.25000000  0.04324261  0.68617018  1.0
  Li  Li1  1  0.25000000  0.13198329  0.05876049  1.0
  Li  Li2  1  0.25000000  0.61935084  0.44472849  1.0
  Li  Li3  1  0.75000000  0.87663258  0.94788368  1.0
  Li  Li4  1  0.75000000  0.36977184  0.55265382  1.0
  Nd  Nd5  1  0.25000000  0.54972818  0.81840467  1.0
  Nd  Nd6  1  0.75000000  0.95236867  0.31667345  1.0
  Nd  Nd7  1  0.75000000  0.45798598  0.18441040  1.0
  Pt  Pt8  1  0.25000000  0.24914140  0.36543400  1.0
  Pt  Pt9  1  0.25000000  0.75464746  0.12062366  1.0
  Pt  Pt10  1  0.75000000  0.72963692  0.61436780  1.0
  Pt  Pt11  1  0.75000000  0.26551123  0.88988936  1.0

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