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Li3Eu

Traditional Materials TRA

MP-ID: mp-1185227 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula
Li3Eu
MP-ID
mp-1185227
Elements
2
Sites
8
Density
2.5633
g/cm³
Volume
223.87
ų
Cell a
6.9245
Å
Cell b
6.9245
Å
Cell c
5.3913
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P6_3/mmc
Point Group
6/mmm
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)
2θd (Å)Ihkl
14.77 5.9968 37.7 (1,0,-1,0)
22.17 4.0093 100.0 (1,0,-1,1)
25.73 3.4622 46.3 (2,-1,-1,0)
29.80 2.9984 10.2 (2,0,-2,0)
33.24 2.6957 10.3 (0,0,0,2)
34.22 2.6204 42.5 (2,0,-2,1)
36.55 2.4587 8.7 (1,0,-1,2)
39.77 2.2666 2.8 (2,1,-3,0)
39.77 2.2666 5.5 (3,-1,-2,0)
42.50 2.1270 24.5 (2,-1,-1,2)
43.30 2.0894 22.2 (3,-1,-2,1)
43.30 2.0894 11.1 (3,-2,-1,1)
45.23 2.0046 6.5 (2,0,-2,2)
45.37 1.9989 6.6 (3,0,-3,0)
45.37 1.9989 3.3 (3,-3,0,0)
52.77 1.7348 7.3 (3,-1,-2,2)
52.89 1.7311 2.7 (2,2,-4,0)
52.89 1.7311 5.3 (4,-2,-2,0)
53.21 1.7215 9.6 (1,0,-1,3)
55.23 1.6632 1.8 (4,-1,-3,0)
57.39 1.6056 9.9 (3,0,-3,2)
58.03 1.5893 10.2 (4,-1,-3,1)
58.03 1.5893 5.1 (4,-3,-1,1)
60.02 1.5414 8.4 (2,0,-2,3)
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Energy Properties

Formation Energy/atom
0.08982
eV/atom
Energy/atom
-11.33043
eV/atom
Energy above Hull
0.0898
eV/atom
Uncorrected Energy
-3.9061
eV/atom
Volume/atom
27.98
ų
c/a Ratio
0.7786

Electronic Properties

Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV

Magnetic Properties

Magnetic
Yes
Total Mag. Moment
15.5187
μB
Mag. Ordering
FM
Mag. Sites
2
Magnetization/Volume
0.069320
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Li · 0.750
Element Family
N/A
Solute Fraction
0.250
Interstitial Fraction
0.000

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.581
Family
Binary Alloy
Matrix Element
Li · 0.750

Related Tasks

Related computation task IDs (1)
aaadchve

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-1185227
Reference Citation

The crystal structure and related material properties of Li3Eu were obtained from the Materials Project database (MP-ID: mp-1185227, 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…

Style: Ball & Stick
Raw CIF Data 
# generated using pymatgen
data_Li3Eu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.92444501
_cell_length_b   6.92444501
_cell_length_c   5.39132900
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999054
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Eu
_chemical_formula_sum   'Li6 Eu2'
_cell_volume   223.87028362
_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
  Li  Li0  1  0.14520900  0.29041700  0.25000000  1.0
  Li  Li1  1  0.70958300  0.85479100  0.25000000  1.0
  Li  Li2  1  0.14520900  0.85479100  0.25000000  1.0
  Li  Li3  1  0.85479100  0.70958300  0.75000000  1.0
  Li  Li4  1  0.29041700  0.14520900  0.75000000  1.0
  Li  Li5  1  0.85479100  0.14520900  0.75000000  1.0
  Eu  Eu6  1  0.33333300  0.66666700  0.75000000  1.0
  Eu  Eu7  1  0.66666700  0.33333300  0.25000000  1.0
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