Basic Information
Formula
AcIn4Pt
MP-ID
mp-3250257
Elements
3
Sites
12
Density
9.6975
g/cm³
Volume
301.84
ų
Cell a
8.9290
Å
Cell b
8.9290
Å
Cell c
7.5175
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
149.76
°
Space Group
Cmcm
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
oC
Stability
Yes
Packing Fraction
-
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 10.26 | 8.6199 | 55.6 | (1,-1,0) |
| 19.74 | 4.4967 | 8.4 | (1,0,0) |
| 23.67 | 3.7588 | 21.3 | (0,0,2) |
| 23.80 | 3.7390 | 6.0 | (2,-2,1) |
| 24.60 | 3.6185 | 3.7 | (1,-2,0) |
| 24.60 | 3.6185 | 3.7 | (2,-1,0) |
| 25.86 | 3.4454 | 5.7 | (1,-1,2) |
| 27.35 | 3.2605 | 22.0 | (1,-2,1) |
| 27.35 | 3.2605 | 22.0 | (2,-1,1) |
| 31.01 | 2.8839 | 100.0 | (0,1,2) |
| 31.01 | 2.8839 | 100.0 | (1,0,2) |
| 31.58 | 2.8328 | 14.8 | (2,-2,2) |
| 32.30 | 2.7713 | 35.7 | (2,-3,0) |
| 32.30 | 2.7713 | 35.7 | (3,-2,0) |
| 33.38 | 2.6840 | 79.9 | (3,-3,1) |
| 34.40 | 2.6069 | 21.8 | (1,-2,2) |
| 34.40 | 2.6069 | 21.8 | (2,-1,2) |
| 34.49 | 2.6003 | 54.5 | (2,-3,1) |
| 34.49 | 2.6003 | 54.5 | (3,-2,1) |
| 37.37 | 2.4062 | 12.3 | (1,-1,3) |
| 38.66 | 2.3290 | 91.5 | (1,1,0) |
| 39.48 | 2.2827 | 55.4 | (3,-3,2) |
| 40.11 | 2.2484 | 4.5 | (2,0,0) |
| 40.44 | 2.2306 | 6.3 | (2,-3,2) |
Energy Properties
Formation Energy/atom
-0.66775
eV/atom
Energy/atom
-35.74101
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-35.7410
eV/atom
Volume/atom
25.15
ų
c/a Ratio
0.8419
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0000
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
In · 0.667
Element Family
PostTransition-Noble
Solute Fraction
0.333
Interstitial Fraction
0.000
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
2.6107
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
9.680%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3433
smaller = more stable mixing
VEC
4.000
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-2.340
kJ/mol; negative = exothermic mixing
Entropy Norm
0.7897
SS Former
0
Phase Tendency
IM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3250257
Reference Citation
The crystal structure and related material properties of AcIn4Pt were obtained from the Materials Project database (MP-ID: mp-3250257, 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_AcIn4Pt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.92902479
_cell_length_b 8.92902624
_cell_length_c 7.51750124
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 149.76116099
_symmetry_Int_Tables_number 1
_chemical_formula_structural AcIn4Pt
_chemical_formula_sum 'Ac2 In8 Pt2'
_cell_volume 301.83685686
_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
Ac Ac0 1 0.12243635 0.87756365 0.75000000 1.0
Ac Ac1 1 0.87756365 0.12243635 0.25000000 1.0
In In2 1 0.50000000 0.50000000 0.50000000 1.0
In In3 1 0.50000000 0.50000000 0.00000000 1.0
In In4 1 0.07002198 0.92997802 0.25000000 1.0
In In5 1 0.92997802 0.07002198 0.75000000 1.0
In In6 1 0.31503144 0.68496856 0.94650628 1.0
In In7 1 0.68496856 0.31503144 0.05349372 1.0
In In8 1 0.68496856 0.31503144 0.44650628 1.0
In In9 1 0.31503144 0.68496856 0.55349372 1.0
Pt Pt10 1 0.77427220 0.22572780 0.75000000 1.0
Pt Pt11 1 0.22572780 0.77427220 0.25000000 1.0
