ErU
Traditional Materials TRAMP-ID: mp-1184350 · Space group: P-6m2 (#187)
Basic Information
Formula
ErU
MP-ID
mp-1184350
Elements
2
Sites
2
Density
13.2257
g/cm³
Volume
50.89
ų
Cell a
3.2036
Å
Cell b
3.2036
Å
Cell c
5.7250
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P-6m2
Point Group
-6m2
Crystal System
Hexagonal
Bravais Lattice
hP
Stability
No
Packing Fraction
0.7405
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 |
|---|---|---|---|
| 15.48 | 5.7250 | 5.6 | (0,0,0,1) |
| 31.25 | 2.8625 | 47.8 | (0,0,0,2) |
| 32.27 | 2.7744 | 11.8 | (1,-1,0,0) |
| 32.27 | 2.7744 | 23.6 | (1,0,-1,0) |
| 35.97 | 2.4967 | 50.0 | (1,-1,0,1) |
| 35.97 | 2.4967 | 100.0 | (1,0,-1,1) |
| 45.53 | 1.9922 | 9.3 | (1,-1,0,2) |
| 45.53 | 1.9922 | 18.6 | (1,0,-1,2) |
| 57.54 | 1.6018 | 17.5 | (2,-1,-1,0) |
| 57.54 | 1.6018 | 8.7 | (1,1,-2,0) |
| 58.72 | 1.5723 | 37.4 | (1,0,-1,3) |
| 65.18 | 1.4313 | 6.1 | (0,0,0,4) |
| 66.94 | 1.3978 | 22.5 | (2,-1,-1,2) |
| 66.94 | 1.3978 | 11.3 | (1,1,-2,2) |
| 67.52 | 1.3872 | 1.5 | (2,-2,0,0) |
| 67.52 | 1.3872 | 3.0 | (2,0,-2,0) |
| 69.75 | 1.3482 | 7.6 | (2,-2,0,1) |
| 69.75 | 1.3482 | 15.2 | (2,0,-2,1) |
| 74.61 | 1.2720 | 2.3 | (1,-1,0,4) |
| 74.61 | 1.2720 | 4.6 | (1,0,-1,4) |
| 76.27 | 1.2484 | 2.2 | (2,-2,0,2) |
| 76.27 | 1.2484 | 4.3 | (2,0,-2,2) |
| 86.79 | 1.1221 | 4.5 | (2,-2,0,3) |
| 86.79 | 1.1221 | 9.0 | (2,0,-2,3) |
Energy Properties
Formation Energy/atom
0.42901
eV/atom
Energy/atom
-56.50473
eV/atom
Energy above Hull
0.4290
eV/atom
Uncorrected Energy
-7.5006
eV/atom
Volume/atom
25.44
ų
c/a Ratio
1.7870
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
2.1010
μB
Mag. Ordering
FM
Mag. Sites
1
Magnetization/Volume
0.041290
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Er · 0.500
Element Family
N/A
Solute Fraction
0.500
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.344
Family
Binary Alloy
Matrix Element
Er · 0.500
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1184350
Reference Citation
The crystal structure and related material properties of ErU were obtained from the Materials Project database (MP-ID: mp-1184350, 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_ErU
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.20364479
_cell_length_b 3.20364479
_cell_length_c 5.72499800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00001630
_symmetry_Int_Tables_number 1
_chemical_formula_structural ErU
_chemical_formula_sum 'Er1 U1'
_cell_volume 50.88556643
_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 0.33333300 0.66666700 0.50000000 1.0
U U1 1 0.00000000 0.00000000 0.00000000 1.0
