Basic Information
Formula
Er3AlC
MP-ID
mp-10038
Elements
3
Sites
5
Density
6.0200
g/cm³
Volume
149.16
ų
Cell a
5.3034
Å
Cell b
5.3034
Å
Cell c
5.3034
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 20)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 16.72 | 5.3034 | 40.7 | (1,0,0) |
| 23.73 | 3.7501 | 17.0 | (1,1,0) |
| 29.17 | 3.0619 | 100.0 | (1,1,1) |
| 33.80 | 2.6517 | 63.1 | (2,0,0) |
| 37.94 | 2.3718 | 21.5 | (2,1,0) |
| 41.72 | 2.1651 | 8.3 | (2,1,1) |
| 48.55 | 1.8750 | 45.6 | (2,2,0) |
| 51.71 | 1.7678 | 11.2 | (3,0,0) |
| 54.73 | 1.6771 | 3.9 | (3,1,0) |
| 57.65 | 1.5990 | 44.2 | (3,1,1) |
| 60.47 | 1.5310 | 15.7 | (2,2,2) |
| 63.22 | 1.4709 | 5.0 | (3,2,0) |
| 65.90 | 1.4174 | 4.5 | (3,2,1) |
| 71.11 | 1.3259 | 7.3 | (4,0,0) |
| 73.65 | 1.2863 | 6.4 | (4,1,0) |
| 76.15 | 1.2500 | 2.2 | (3,3,0) |
| 78.64 | 1.2167 | 18.0 | (3,3,1) |
| 81.10 | 1.1859 | 20.5 | (4,2,0) |
| 83.54 | 1.1573 | 4.6 | (4,2,1) |
| 85.97 | 1.1307 | 1.1 | (3,3,2) |
Energy Properties
Formation Energy/atom
1.44573
eV/atom
Energy/atom
-3.89021
eV/atom
Energy above Hull
1.8767
eV/atom
Uncorrected Energy
-3.8902
eV/atom
Volume/atom
29.83
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
0.0000
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
KVRH
38.490
GPa
GVRH
16.408
GPa
Young's Modulus E
43.100
GPa
Poisson Ratio ν
0.313
Pugh Ratio K/G
2.346
Vickers Hardness Est.
-
GPa
Ductility
Brittle
Anisotropy
10.860
Lame λ
27.551
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Er · 0.600
Element Family
N/A
Solute Fraction
0.400
Interstitial Fraction
0.200
ROM Blended-Feature Radar
Rating & Classification
Tier
C
Score
0.374
Family
Interstitial Alloy
Matrix Element
Er · 0.600
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-10038
Reference Citation
The crystal structure and related material properties of Er3AlC were obtained from the Materials Project database (MP-ID: mp-10038, 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_Er3AlC
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.30340500
_cell_length_b 5.30340500
_cell_length_c 5.30340500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Er3AlC
_chemical_formula_sum 'Er3 Al1 C1'
_cell_volume 149.16412373
_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
Er Er0 1 0.00000000 0.50000000 0.50000000 1.0
Er Er1 1 0.50000000 0.50000000 0.00000000 1.0
Er Er2 1 0.50000000 0.00000000 0.50000000 1.0
Al Al3 1 0.50000000 0.50000000 0.50000000 1.0
C C4 1 0.00000000 0.00000000 0.00000000 1.0
