Ca3Eu
Traditional Materials TRAMP-ID: mp-1183960 · Space group: P6_3/mmc (#194)
Basic Information
Formula
Ca3Eu
MP-ID
mp-1183960
Elements
2
Sites
8
Density
2.5451
g/cm³
Volume
355.18
ų
Cell a
7.9249
Å
Cell b
7.9249
Å
Cell c
6.5304
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 |
|---|---|---|---|
| 12.90 | 6.8631 | 5.3 | (0,1,-1,0) |
| 12.90 | 6.8631 | 10.7 | (1,0,-1,0) |
| 18.76 | 4.7310 | 43.0 | (1,0,-1,1) |
| 22.44 | 3.9624 | 19.1 | (2,-1,-1,0) |
| 25.97 | 3.4316 | 15.3 | (2,-2,0,0) |
| 25.97 | 3.4316 | 7.7 | (2,0,-2,0) |
| 27.31 | 3.2652 | 26.9 | (0,0,0,2) |
| 29.40 | 3.0377 | 100.0 | (2,0,-2,1) |
| 30.31 | 2.9485 | 4.7 | (1,0,-1,2) |
| 34.58 | 2.5940 | 1.1 | (2,-3,1,0) |
| 34.58 | 2.5940 | 2.3 | (3,-1,-2,0) |
| 35.63 | 2.5199 | 12.4 | (2,-1,-1,2) |
| 37.30 | 2.4108 | 5.5 | (2,-3,1,1) |
| 37.30 | 2.4108 | 11.0 | (3,-1,-2,1) |
| 38.04 | 2.3655 | 16.4 | (2,0,-2,2) |
| 39.39 | 2.2877 | 4.7 | (3,0,-3,0) |
| 43.62 | 2.0749 | 5.4 | (1,0,-1,3) |
| 44.61 | 2.0311 | 3.4 | (3,-1,-2,2) |
| 45.80 | 1.9812 | 12.6 | (2,2,-4,0) |
| 45.80 | 1.9812 | 6.3 | (4,-2,-2,0) |
| 47.78 | 1.9035 | 1.1 | (4,-1,-3,0) |
| 48.59 | 1.8736 | 5.3 | (3,0,-3,2) |
| 49.59 | 1.8382 | 22.1 | (2,0,-2,3) |
| 49.90 | 1.8274 | 1.2 | (1,-4,3,1) |
Energy Properties
Formation Energy/atom
0.01699
eV/atom
Energy/atom
-14.89195
eV/atom
Energy above Hull
0.0170
eV/atom
Uncorrected Energy
-14.8919
eV/atom
Volume/atom
44.40
ų
c/a Ratio
0.8240
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
15.2966
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.043070
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ca · 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
0.630
Family
Binary Alloy
Matrix Element
Ca · 0.750
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1183960
Reference Citation
The crystal structure and related material properties of Ca3Eu were obtained from the Materials Project database (MP-ID: mp-1183960, 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_Ca3Eu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.92485369
_cell_length_b 7.92485479
_cell_length_c 6.53042036
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000283
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ca3Eu
_chemical_formula_sum 'Ca6 Eu2'
_cell_volume 355.18475979
_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 0.16654983 0.33309967 0.25000000 1.0
Ca Ca1 1 0.66690033 0.83344917 0.25000000 1.0
Ca Ca2 1 0.16654983 0.83344917 0.25000000 1.0
Ca Ca3 1 0.83345017 0.66690033 0.75000000 1.0
Ca Ca4 1 0.33309967 0.16655083 0.75000000 1.0
Ca Ca5 1 0.83345017 0.16655083 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
