La3AlC
High-Entropy Materials HEA Traditional Materials TRA Elasticity Data ELAMP-ID: mp-10600 · Space group: Pm-3m (#221)
Basic Information
Formula
La3AlC
MP-ID
mp-10600
Elements
3
Sites
5
Density
5.3659
g/cm³
Volume
141.02
ų
Cell a
5.2051
Å
Cell b
5.2051
Å
Cell c
5.2051
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Pm-3m
Point Group
m-3m
Crystal System
Cubic
Bravais Lattice
cP
Stability
No
Packing Fraction
0.5236
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 19)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 17.03 | 5.2051 | 23.4 | (1,0,0) |
| 24.18 | 3.6806 | 13.0 | (1,1,0) |
| 29.73 | 3.0052 | 100.0 | (1,1,1) |
| 34.46 | 2.6026 | 56.0 | (2,0,0) |
| 38.68 | 2.3278 | 11.7 | (2,1,0) |
| 42.54 | 2.1250 | 6.2 | (2,1,1) |
| 49.53 | 1.8403 | 39.6 | (2,2,0) |
| 52.76 | 1.7350 | 5.8 | (3,0,0) |
| 55.86 | 1.6460 | 2.9 | (3,1,0) |
| 58.84 | 1.5694 | 43.6 | (3,1,1) |
| 61.74 | 1.5026 | 13.5 | (2,2,2) |
| 64.55 | 1.4436 | 2.5 | (3,2,0) |
| 67.31 | 1.3911 | 3.3 | (3,2,1) |
| 72.66 | 1.3013 | 6.2 | (4,0,0) |
| 75.28 | 1.2624 | 3.2 | (4,1,0) |
| 77.86 | 1.2269 | 1.6 | (3,3,0) |
| 80.42 | 1.1941 | 17.7 | (3,3,1) |
| 82.96 | 1.1639 | 17.6 | (4,2,0) |
| 85.49 | 1.1359 | 2.3 | (4,2,1) |
Energy Properties
Formation Energy/atom
-0.28307
eV/atom
Energy/atom
-21.46580
eV/atom
Energy above Hull
0.0345
eV/atom
Uncorrected Energy
-5.7417
eV/atom
Volume/atom
28.20
ų
c/a Ratio
1.0000
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0002
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
KVRH
58.829
GPa
GVRH
34.474
GPa
Young's Modulus E
86.521
GPa
Poisson Ratio ν
0.255
Pugh Ratio K/G
1.706
Vickers Hardness Est.
5.490
GPa
Ductility
Ductile
Anisotropy
0.017
Lame λ
35.846
GPa
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
La · 0.600
Element Family
Lanthanide
Solute Fraction
0.400
Interstitial Fraction
0.200
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.9503
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
7.9005
J/mol·K
Ω Parameter
0.2012
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
28.931%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.5647
smaller = more stable mixing
VEC
3.200
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-65.478
kJ/mol; negative = exothermic mixing
Entropy Norm
0.8650
SS Former
0
Phase Tendency
AM
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.551
Family
Interstitial Alloy
Matrix Element
La · 0.600
Elasticity Features
Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.0170
Homogeneous Poisson ν
0.2550
Debye Temperature
275.3
K
Sound Velocity
2,815.6
m/s
Homogeneity
0.2550
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-10600
Reference Citation
The crystal structure and related material properties of La3AlC were obtained from the Materials Project database (MP-ID: mp-10600, 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_La3AlC
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.20513100
_cell_length_b 5.20513100
_cell_length_c 5.20513100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural La3AlC
_chemical_formula_sum 'La3 Al1 C1'
_cell_volume 141.02463756
_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
La La0 1 0.50000000 0.50000000 0.00000000 1.0
La La1 1 0.50000000 0.00000000 0.50000000 1.0
La La2 1 0.00000000 0.50000000 0.50000000 1.0
Al Al3 1 0.00000000 0.00000000 0.00000000 1.0
C C4 1 0.50000000 0.50000000 0.50000000 1.0
