Al4C3

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-632442 · Space group: P1 (#1)

Materials Project API

Basic Information

Formula

Al4C3

MP-ID

mp-632442

Elements

Sites

Density

2.9987

g/cm³

Volume

79.72

Å³

Cell a

3.1924

Cell b

5.0564

Cell c

5.5720

α Angle

114.25

β Angle

86.63

γ Angle

103.38

Space Group

Point Group

Crystal System

Triclinic

Bravais Lattice

Stability

Packing Fraction

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
17.47	5.0763	7.1	(0,0,1)
19.78	4.4893	32.8	(0,1,0)
20.36	4.3625	2.1	(0,1,-1)
28.77	3.1032	12.2	(1,0,0)
31.08	2.8775	14.7	(1,-1,0)
31.54	2.8363	19.3	(0,1,1)
32.14	2.7854	24.7	(1,-1,1)
32.67	2.7412	2.0	(0,1,-2)
33.22	2.6972	12.2	(1,0,-1)
34.49	2.6007	100.0	(1,0,1)
35.36	2.5381	96.3	(0,0,2)
36.56	2.4580	15.2	(0,2,-1)
38.61	2.3320	38.7	(1,1,-1)
38.86	2.3177	29.1	(1,1,0)
39.30	2.2925	80.6	(1,-1,-1)
40.17	2.2446	53.6	(0,2,0)
41.29	2.1865	48.9	(1,-2,1)
41.39	2.1813	91.1	(0,2,-2)
41.85	2.1585	6.2	(1,-1,2)
45.22	2.0053	9.7	(1,0,-2)
46.20	1.9648	4.4	(1,-2,2)
46.22	1.9641	20.8	(1,1,-2)
46.86	1.9388	28.5	(1,1,1)
47.18	1.9264	7.3	(1,0,2)

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Energy Properties

Formation Energy/atom

0.16875

eV/atom

Energy/atom

-7.94127

eV/atom

Energy above Hull

0.4070

eV/atom

Uncorrected Energy

-5.7797

eV/atom

Volume/atom

11.39

Å³

c/a Ratio

1.7454

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0000

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

K_VRH

137.887

GPa

G_VRH

86.229

GPa

Young's Modulus E

214.065

GPa

Poisson Ratio ν

0.241

Pugh Ratio K/G

1.599

Vickers Hardness Est.

12.662

GPa

Ductility

Ductile

Anisotropy

1.400

Lame λ

80.401

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Al · 0.571

Element Family

N/A

Solute Fraction

0.429

Interstitial Fraction

0.429

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.618

Family

Al-based Alloy

Matrix Element

Al · 0.571

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

1.4000

Homogeneous Poisson ν

0.2410

Debye Temperature

786.8

Sound Velocity

5,947.3

m/s

Homogeneity

0.2410

Related Tasks

Related computation task IDs (5)

aaadomzy aaadwbqn aaadymkv aaaepqya aaafbkoh

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-632442

Reference Citation

The crystal structure and related material properties of Al4C3 were obtained from the Materials Project database (MP-ID: mp-632442, 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_Al4C3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.19240300
_cell_length_b   5.05639537
_cell_length_c   5.57203210
_cell_angle_alpha   114.24573856
_cell_angle_beta   86.63339504
_cell_angle_gamma   103.37814816
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al4C3
_chemical_formula_sum   'Al4 C3'
_cell_volume   79.71808650
_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
  Al  Al0  1  0.04025400  0.17435500  0.75988800  1.0
  Al  Al1  1  0.63479400  0.20539600  0.20761100  1.0
  Al  Al2  1  0.25829000  0.66104100  0.68501700  1.0
  Al  Al3  1  0.94655500  0.74812600  0.22672100  1.0
  C  C4  1  0.07651900  0.98199800  0.00258300  1.0
  C  C5  1  0.61810200  0.34380700  0.61512500  1.0
  C  C6  1  0.49706700  0.95321300  0.48226100  1.0

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