CaEu3
Traditional Materials TRAMP-ID: mp-1183604 · Space group: P6_3/mmc (#194)
Basic Information
Formula
CaEu3
MP-ID
mp-1183604
Elements
2
Sites
8
Density
4.6617
g/cm³
Volume
353.34
ų
Cell a
7.9983
Å
Cell b
7.9983
Å
Cell c
6.3777
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)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 12.78 | 6.9268 | 2.8 | (1,0,-1,0) |
| 12.78 | 6.9267 | 5.6 | (1,-1,0,0) |
| 18.91 | 4.6918 | 6.5 | (1,0,-1,1) |
| 18.91 | 4.6918 | 12.9 | (1,-1,0,1) |
| 22.23 | 3.9992 | 3.1 | (1,1,-2,0) |
| 22.23 | 3.9992 | 3.1 | (2,-1,-1,0) |
| 22.23 | 3.9991 | 3.1 | (1,-2,1,0) |
| 25.72 | 3.4634 | 11.6 | (2,0,-2,0) |
| 25.72 | 3.4634 | 23.2 | (2,-2,0,0) |
| 27.98 | 3.1888 | 37.6 | (0,0,0,2) |
| 29.35 | 3.0436 | 50.0 | (2,0,-2,1) |
| 29.35 | 3.0436 | 100.0 | (2,-2,0,1) |
| 30.87 | 2.8966 | 1.5 | (1,-1,0,2) |
| 36.02 | 2.4933 | 3.8 | (2,-1,-1,2) |
| 36.02 | 2.4933 | 1.9 | (1,-2,1,2) |
| 37.12 | 2.4219 | 2.8 | (3,-1,-2,1) |
| 37.12 | 2.4219 | 1.4 | (1,2,-3,1) |
| 37.12 | 2.4219 | 1.4 | (3,-2,-1,1) |
| 37.12 | 2.4219 | 2.8 | (2,-3,1,1) |
| 38.37 | 2.3459 | 8.1 | (2,0,-2,2) |
| 38.37 | 2.3459 | 16.2 | (2,-2,0,2) |
| 39.01 | 2.3089 | 1.5 | (3,-3,0,0) |
| 44.58 | 2.0323 | 1.5 | (1,-1,0,3) |
| 45.35 | 1.9996 | 10.0 | (2,2,-4,0) |
Energy Properties
Formation Energy/atom
0.02441
eV/atom
Energy/atom
-30.62582
eV/atom
Energy above Hull
0.0244
eV/atom
Uncorrected Energy
-30.6258
eV/atom
Volume/atom
44.17
ų
c/a Ratio
0.7974
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
49.5274
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.140170
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Eu · 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
0.705
Family
Binary Alloy
Matrix Element
Eu · 0.750
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1183604
Reference Citation
The crystal structure and related material properties of CaEu3 were obtained from the Materials Project database (MP-ID: mp-1183604, 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_CaEu3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.99831827
_cell_length_b 7.99827321
_cell_length_c 6.37768675
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99980883
_symmetry_Int_Tables_number 1
_chemical_formula_structural CaEu3
_chemical_formula_sum 'Ca2 Eu6'
_cell_volume 353.33736756
_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
Ca Ca0 1 0.33333962 0.66667031 0.75000000 1.0
Ca Ca1 1 0.66664279 0.33332089 0.25000000 1.0
Eu Eu2 1 0.16603076 0.33199946 0.25000000 1.0
Eu Eu3 1 0.66798354 0.83399177 0.25000000 1.0
Eu Eu4 1 0.16603076 0.83403130 0.25000000 1.0
Eu Eu5 1 0.83397994 0.66799984 0.75000000 1.0
Eu Eu6 1 0.33201265 0.16600633 0.75000000 1.0
Eu Eu7 1 0.83397994 0.16598010 0.75000000 1.0
