Basic Information
Formula
ErAl4Ni
MP-ID
mp-31183
Elements
3
Sites
12
Density
5.5253
g/cm³
Volume
200.68
ų
Cell a
4.0283
Å
Cell b
6.5465
Å
Cell c
7.8719
Å
α Angle
90.00
°
β Angle
104.82
°
γ Angle
90.00
°
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 |
|---|---|---|---|
| 11.63 | 7.6099 | 24.0 | (0,0,1) |
| 17.87 | 4.9628 | 97.4 | (0,1,1) |
| 22.84 | 3.8942 | 53.2 | (1,0,0) |
| 23.38 | 3.8050 | 17.0 | (0,0,2) |
| 26.63 | 3.3468 | 16.5 | (1,1,0) |
| 27.11 | 3.2897 | 9.0 | (0,1,2) |
| 27.24 | 3.2733 | 53.3 | (0,2,0) |
| 28.29 | 3.1548 | 29.8 | (1,0,1) |
| 29.71 | 3.0069 | 2.3 | (0,2,1) |
| 31.48 | 2.8420 | 100.0 | (1,1,1) |
| 35.39 | 2.5366 | 1.3 | (0,0,3) |
| 35.84 | 2.5057 | 58.0 | (1,2,0) |
| 35.84 | 2.5057 | 58.0 | (1,2,-1) |
| 36.20 | 2.4814 | 30.7 | (0,2,2) |
| 37.02 | 2.4286 | 48.9 | (1,0,2) |
| 38.04 | 2.3653 | 67.5 | (0,1,3) |
| 39.58 | 2.2770 | 30.6 | (1,1,2) |
| 39.58 | 2.2770 | 30.6 | (1,1,-3) |
| 39.68 | 2.2715 | 21.5 | (1,2,1) |
| 39.68 | 2.2715 | 21.5 | (1,2,-2) |
| 43.13 | 2.0976 | 21.4 | (0,3,1) |
| 45.01 | 2.0142 | 44.3 | (2,0,-1) |
| 45.22 | 2.0050 | 19.5 | (0,2,3) |
| 46.57 | 1.9504 | 3.2 | (1,2,2) |
Energy Properties
Formation Energy/atom
-0.54218
eV/atom
Energy/atom
-4.76387
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-12.7189
eV/atom
Volume/atom
16.72
ų
c/a Ratio
1.9542
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.0000
μB
Mag. Ordering
Unknown
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
Al · 0.667
Element Family
N/A
Solute Fraction
0.333
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.751
Family
Al-based Alloy
Matrix Element
Al · 0.667
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-31183
Reference Citation
The crystal structure and related material properties of ErAl4Ni were obtained from the Materials Project database (MP-ID: mp-31183, 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_ErAl4Ni
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.02831563
_cell_length_b 6.54649345
_cell_length_c 7.87193081
_cell_angle_alpha 90.00000000
_cell_angle_beta 104.82489154
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ErAl4Ni
_chemical_formula_sum 'Er2 Al8 Ni2'
_cell_volume 200.68307716
_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
Er Er0 1 0.88114543 0.25000000 0.76229186 1.0
Er Er1 1 0.11885457 0.75000000 0.23770814 1.0
Al Al2 1 0.50000000 -0.00000000 -0.00000000 1.0
Al Al3 1 0.50000000 0.50000000 -0.00000000 1.0
Al Al4 1 0.07590485 0.25000000 0.15180871 1.0
Al Al5 1 0.92409515 0.75000000 0.84819129 1.0
Al Al6 1 0.68855435 0.05288304 0.37710569 1.0
Al Al7 1 0.31144565 0.94711696 0.62289431 1.0
Al Al8 1 0.31144565 0.55288304 0.62289431 1.0
Al Al9 1 0.68855435 0.44711696 0.37710569 1.0
Ni Ni10 1 0.22638908 0.25000000 0.45278116 1.0
Ni Ni11 1 0.77361092 0.75000000 0.54721884 1.0
