AcLa3Ga4
High-Entropy Materials HEA Traditional Materials TRAMP-ID: mp-3253057 · Space group: Amm2 (#38)
Basic Information
Formula
AcLa3Ga4
MP-ID
mp-3253057
Elements
3
Sites
8
Density
6.6856
g/cm³
Volume
229.15
ų
Cell a
7.3266
Å
Cell b
7.3266
Å
Cell c
7.1287
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
143.21
°
Space Group
Amm2
Point Group
mm2
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 |
|---|---|---|---|
| 12.42 | 7.1287 | 5.0 | (0,0,1) |
| 17.82 | 4.9772 | 6.7 | (1,-1,1) |
| 20.24 | 4.3875 | 6.8 | (1,0,0) |
| 23.81 | 3.7365 | 31.9 | (1,0,1) |
| 24.98 | 3.5643 | 33.1 | (0,0,2) |
| 25.63 | 3.4761 | 4.3 | (2,-2,0) |
| 28.13 | 3.1718 | 11.8 | (1,-1,2) |
| 28.57 | 3.1245 | 41.7 | (2,-2,1) |
| 30.04 | 2.9748 | 100.0 | (1,-2,1) |
| 30.04 | 2.9748 | 100.0 | (2,-1,1) |
| 32.36 | 2.7665 | 91.5 | (1,0,2) |
| 36.09 | 2.4886 | 31.8 | (2,-2,2) |
| 37.75 | 2.3831 | 16.2 | (2,-3,0) |
| 37.75 | 2.3831 | 16.2 | (3,-2,0) |
| 38.86 | 2.3174 | 21.0 | (3,-3,0) |
| 38.96 | 2.3119 | 48.4 | (1,1,0) |
| 40.10 | 2.2485 | 10.5 | (1,-1,3) |
| 43.30 | 2.0895 | 28.4 | (1,0,3) |
| 46.28 | 1.9617 | 33.7 | (2,-2,3) |
| 46.76 | 1.9429 | 1.2 | (3,-3,2) |
| 46.84 | 1.9396 | 12.5 | (1,1,2) |
| 47.27 | 1.9230 | 5.0 | (1,-2,3) |
| 47.27 | 1.9230 | 5.0 | (2,-1,3) |
| 48.74 | 1.8683 | 5.4 | (2,0,2) |
Energy Properties
Formation Energy/atom
-0.67072
eV/atom
Energy/atom
-26.12609
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-26.1261
eV/atom
Volume/atom
28.64
ų
c/a Ratio
0.9730
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
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ga · 0.500
Element Family
PostTransition-Noble
Solute Fraction
0.500
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.9743
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.1005
J/mol·K
Ω Parameter
0.3363
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
18.182%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3550
smaller = more stable mixing
VEC
2.875
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-18.406
kJ/mol; negative = exothermic mixing
Entropy Norm
0.8869
SS Former
0
Phase Tendency
AM
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.510
Family
Ga-rich Multi-Component
Matrix Element
Ga · 0.500
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3253057
Reference Citation
The crystal structure and related material properties of AcLa3Ga4 were obtained from the Materials Project database (MP-ID: mp-3253057, 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_AcLa3Ga4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.32659422
_cell_length_b 7.32659570
_cell_length_c 7.12866807
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 143.21267180
_symmetry_Int_Tables_number 1
_chemical_formula_structural AcLa3Ga4
_chemical_formula_sum 'Ac1 La3 Ga4'
_cell_volume 229.15443527
_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
Ac Ac0 1 0.27441251 0.72558749 0.25000000 1.0
La La1 1 0.72191562 0.27808438 0.75000000 1.0
La La2 1 0.55302249 0.44697751 0.25000000 1.0
La La3 1 0.44597668 0.55402332 0.75000000 1.0
Ga Ga4 1 0.09133880 0.90866120 0.93275878 1.0
Ga Ga5 1 0.91099755 0.08900245 0.06229777 1.0
Ga Ga6 1 0.91099755 0.08900245 0.43770223 1.0
Ga Ga7 1 0.09133880 0.90866120 0.56724122 1.0
