GdInPt4
High-Entropy Materials HEA Traditional Materials TRAMP-ID: mp-1072097 · Space group: F-43m (#216)
Basic Information
Formula
GdInPt4
MP-ID
mp-1072097
Elements
3
Sites
6
Density
15.8449
g/cm³
Volume
110.29
ų
Cell a
5.3829
Å
Cell b
5.3829
Å
Cell c
5.3829
Å
α Angle
60.00
°
β Angle
60.00
°
γ Angle
60.00
°
Space Group
F-43m
Point Group
-43m
Crystal System
Cubic
Bravais Lattice
cF
Stability
Yes
Packing Fraction
0.7405
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 14)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 20.20 | 4.3951 | 19.5 | (1,1,1) |
| 33.29 | 2.6915 | 17.5 | (2,1,1) |
| 39.25 | 2.2953 | 100.0 | (2,2,1) |
| 41.07 | 2.1976 | 52.3 | (2,2,2) |
| 47.79 | 1.9032 | 10.7 | (2,2,0) |
| 52.39 | 1.7465 | 5.1 | (3,2,2) |
| 59.49 | 1.5539 | 6.5 | (3,3,2) |
| 63.50 | 1.4651 | 32.7 | (3,3,3) |
| 69.90 | 1.3457 | 30.1 | (4,2,2) |
| 73.61 | 1.2868 | 3.8 | (4,3,2) |
| 79.66 | 1.2037 | 2.8 | (4,3,1) |
| 83.22 | 1.1609 | 11.7 | (4,4,3) |
| 84.40 | 1.1476 | 20.5 | (4,4,2) |
| 89.11 | 1.0988 | 2.7 | (4,4,4) |
Energy Properties
Formation Energy/atom
-0.79935
eV/atom
Energy/atom
-7.65265
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-46.1971
eV/atom
Volume/atom
18.38
ų
c/a Ratio
1.0000
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
7.0846
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.064240
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Pt · 0.667
Element Family
5d-TM
Solute Fraction
0.333
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.8676
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
7.2129
J/mol·K
Ω Parameter
0.3762
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
11.090%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.4083
smaller = more stable mixing
VEC
7.667
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-32.524
kJ/mol; negative = exothermic mixing
Entropy Norm
0.7897
SS Former
0
Phase Tendency
AM
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.626
Family
Pt-rich Multi-Component
Matrix Element
Pt · 0.667
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1072097
Reference Citation
The crystal structure and related material properties of GdInPt4 were obtained from the Materials Project database (MP-ID: mp-1072097, 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
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Raw CIF Data
# generated using pymatgen
data_GdInPt4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.38292945
_cell_length_b 5.38292945
_cell_length_c 5.38292945
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural GdInPt4
_chemical_formula_sum 'Gd1 In1 Pt4'
_cell_volume 110.29125204
_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
Gd Gd0 1 -0.00000000 -0.00000000 -0.00000000 1.0
In In1 1 0.25000000 0.25000000 0.25000000 1.0
Pt Pt2 1 0.62451641 0.62451641 0.12644976 1.0
Pt Pt3 1 0.62451641 0.12644976 0.62451641 1.0
Pt Pt4 1 0.12644976 0.62451641 0.62451641 1.0
Pt Pt5 1 0.62451641 0.62451641 0.62451641 1.0
