GdSnPt

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1079739 · Space group: P-62m (#189)

Materials Project API

Basic Information

Formula

GdSnPt

MP-ID

mp-1079739

Elements

Sites

Density

11.8285

g/cm³

Volume

198.38

Å³

Cell a

7.5100

Cell b

7.5100

Cell c

4.0615

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P-62m

Point Group

-6m2

Crystal System

Hexagonal

Bravais Lattice

Stability

Yes

Packing Fraction

0.7405

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
23.69	3.7550	9.6	(2,-1,-1,0)
23.69	3.7550	4.8	(1,1,-2,0)
25.86	3.4450	10.1	(1,0,-1,1)
27.43	3.2519	4.0	(2,0,-2,0)
32.47	2.7572	78.8	(2,-1,-1,1)
35.36	2.5385	100.0	(2,0,-2,1)
36.55	2.4582	21.8	(3,-1,-2,0)
36.55	2.4582	10.9	(2,1,-3,0)
41.66	2.1680	15.1	(3,-3,0,0)
41.66	2.1680	30.2	(3,0,-3,0)
43.01	2.1030	39.3	(3,-1,-2,1)
44.62	2.0308	28.2	(0,0,0,2)
47.54	1.9126	1.4	(3,0,-3,1)
48.49	1.8775	5.4	(4,-2,-2,0)
48.49	1.8775	2.7	(2,2,-4,0)
50.60	1.8039	8.5	(4,-1,-3,0)
51.14	1.7863	3.7	(2,-1,-1,2)
53.17	1.7225	1.2	(2,0,-2,2)
53.79	1.7042	2.3	(4,-2,-2,1)
55.76	1.6486	9.9	(4,-1,-3,1)
56.61	1.6260	1.4	(4,0,-4,0)
59.00	1.5656	16.7	(3,-1,-2,2)
62.22	1.4921	1.3	(5,-2,-3,0)
62.69	1.4821	27.5	(3,0,-3,2)

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Energy Properties

Formation Energy/atom

-1.08033

eV/atom

Energy/atom

-9.13261

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-41.0231

eV/atom

Volume/atom

22.04

Å³

c/a Ratio

0.5408

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

21.4994

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.108370

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Gd · 0.333

Element Family

Lanthanide

Solute Fraction

0.667

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0986

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.1339

J/mol·K

Ω Parameter

0.2841

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

10.986%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4529

smaller = more stable mixing

VEC

5.667

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-44.276

kJ/mol; negative = exothermic mixing

Entropy Norm

1.0000

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.430

Family

Gd-rich Multi-Component

Matrix Element

Gd · 0.333

Related Tasks

Related computation task IDs (5)

aaadnavt aaadrlng aaaemejg aaaerkpo aaafcpgt

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1079739

Reference Citation

The crystal structure and related material properties of GdSnPt were obtained from the Materials Project database (MP-ID: mp-1079739, 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_GdSnPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.51001434
_cell_length_b   7.51001434
_cell_length_c   4.06152736
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000436
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GdSnPt
_chemical_formula_sum   'Gd3 Sn3 Pt3'
_cell_volume   198.38166354
_cell_formula_units_Z   3
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  0.40781762  0.40781762  0.50000000  1.0
  Gd  Gd1  1  0.59218338  -0.00000000  0.50000000  1.0
  Gd  Gd2  1  -0.00000000  0.59218338  0.50000000  1.0
  Sn  Sn3  1  0.74350035  0.74350035  0.00000000  1.0
  Sn  Sn4  1  0.25649865  0.00000000  0.00000000  1.0
  Sn  Sn5  1  0.00000000  0.25649865  -0.00000000  1.0
  Pt  Pt6  1  0.66666700  0.33333300  -0.00000000  1.0
  Pt  Pt7  1  0.33333300  0.66666700  0.00000000  1.0
  Pt  Pt8  1  -0.00000000  -0.00000000  0.50000000  1.0

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