Gd(SiPt)2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-637220 · Space group: P4/nmm (#129)

Materials Project API

Basic Information

Formula

Gd(SiPt)2

MP-ID

mp-637220

Elements

Sites

Density

11.5704

g/cm³

Volume

173.25

Å³

Cell a

4.1939

Cell b

4.1939

Cell c

9.8501

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

P4/nmm

Point Group

4/mmm

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
8.98	9.8501	17.9	(0,0,1)
18.01	4.9250	11.7	(0,0,2)
27.16	3.2834	77.2	(0,0,3)
27.94	3.1931	21.1	(1,0,-2)
27.94	3.1931	21.1	(0,1,2)
27.94	3.1931	21.1	(0,1,-2)
27.94	3.1930	21.1	(1,0,2)
30.14	2.9655	17.9	(1,-1,0)
30.14	2.9655	17.9	(1,1,0)
31.51	2.8396	53.5	(1,-1,-1)
31.51	2.8396	53.5	(1,-1,1)
31.51	2.8396	53.5	(1,1,-1)
31.51	2.8396	53.5	(1,1,1)
34.70	2.5853	49.7	(1,0,-3)
34.70	2.5853	49.6	(0,1,3)
34.70	2.5853	49.6	(0,1,-3)
34.70	2.5853	49.6	(1,0,3)
35.33	2.5405	68.7	(1,-1,-2)
35.33	2.5405	68.7	(1,1,-2)
35.33	2.5405	68.8	(1,-1,2)
35.33	2.5405	68.8	(1,1,2)
36.49	2.4625	10.8	(0,0,4)
43.14	2.0970	100.0	(0,2,0)
43.14	2.0969	100.0	(2,0,0)

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Energy Properties

Formation Energy/atom

-1.09535

eV/atom

Energy/atom

-8.50915

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-33.9454

eV/atom

Volume/atom

17.32

Å³

c/a Ratio

2.3487

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0001

μB

Mag. Ordering

Unknown

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 · 0.400

Element Family

Metalloid-Nonmetal

Solute Fraction

0.600

Interstitial Fraction

0.400

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0549

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.7706

J/mol·K

Ω Parameter

0.3761

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

16.625%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3945

smaller = more stable mixing

VEC

6.200

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-42.172

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9602

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.468

Family

Si-rich Multi-Component

Matrix Element

Si · 0.400

Related Tasks

Related computation task IDs (5)

aaadnesn aaadrdfh aaaekvgk aaaetput aaafiwbw

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-637220

Reference Citation

The crystal structure and related material properties of Gd(SiPt)2 were obtained from the Materials Project database (MP-ID: mp-637220, 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_Gd(SiPt)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.19386290
_cell_length_b   4.19389641
_cell_length_c   9.85008488
_cell_angle_alpha   89.99992934
_cell_angle_beta   90.00079581
_cell_angle_gamma   90.00040876
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Gd(SiPt)2
_chemical_formula_sum   'Gd2 Si4 Pt4'
_cell_volume   173.24946453
_cell_formula_units_Z   2
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
  Gd  Gd0  1  0.25000626  0.24999931  0.74548457  1.0
  Gd  Gd1  1  0.75000551  0.75000072  0.25450845  1.0
  Si  Si2  1  0.25000671  0.24999989  0.13329617  1.0
  Si  Si3  1  0.74998199  0.25000111  0.49995629  1.0
  Si  Si4  1  0.75000814  0.74999945  0.86675439  1.0
  Si  Si5  1  0.25000278  0.74999984  0.49995671  1.0
  Pt  Pt6  1  0.24996088  0.25000071  0.37645202  1.0
  Pt  Pt7  1  0.25001001  0.75000057  0.00006148  1.0
  Pt  Pt8  1  0.75000651  0.75000244  0.62348985  1.0
  Pt  Pt9  1  0.75001219  0.24999796  0.00004008  1.0

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