Basic Information
Formula
CeMg2Ag
MP-ID
mp-31175
Elements
3
Sites
4
Density
5.3026
g/cm³
Volume
92.88
ų
Cell a
5.0833
Å
Cell b
5.0833
Å
Cell c
5.0833
Å
α Angle
60.00
°
β Angle
60.00
°
γ Angle
60.00
°
Space Group
Fm-3m
Point Group
m-3m
Crystal System
Cubic
Bravais Lattice
cF
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 11)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 21.41 | 4.1505 | 1.8 | (1,1,1) |
| 24.77 | 3.5944 | 54.5 | (1,1,0) |
| 35.31 | 2.5417 | 100.0 | (2,1,1) |
| 41.67 | 2.1675 | 1.0 | (2,2,1) |
| 43.61 | 2.0753 | 16.0 | (2,2,2) |
| 50.80 | 1.7972 | 17.3 | (2,2,0) |
| 57.32 | 1.6075 | 21.0 | (3,2,1) |
| 63.38 | 1.4674 | 34.8 | (3,3,2) |
| 74.69 | 1.2708 | 10.6 | (4,2,2) |
| 80.10 | 1.1981 | 10.0 | (4,3,3) |
| 85.41 | 1.1367 | 15.1 | (4,3,1) |
Energy Properties
Formation Energy/atom
0.00512
eV/atom
Energy/atom
-3.00508
eV/atom
Energy above Hull
0.1219
eV/atom
Uncorrected Energy
-3.0051
eV/atom
Volume/atom
23.22
ų
c/a Ratio
1.0000
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
1.0016
μB
Mag. Ordering
FM
Mag. Sites
1
Magnetization/Volume
0.010780
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Mg · 0.500
Element Family
N/A
Solute Fraction
0.500
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.637
Family
Mg-based Alloy
Matrix Element
Mg · 0.500
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-31175
Reference Citation
The crystal structure and related material properties of CeMg2Ag were obtained from the Materials Project database (MP-ID: mp-31175, 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_CeMg2Ag
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.08329307
_cell_length_b 5.08329307
_cell_length_c 5.08329307
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CeMg2Ag
_chemical_formula_sum 'Ce1 Mg2 Ag1'
_cell_volume 92.87962411
_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
Ce Ce0 1 0.50000000 0.50000000 0.50000000 1.0
Mg Mg1 1 0.25000000 0.25000000 0.25000000 1.0
Mg Mg2 1 0.75000000 0.75000000 0.75000000 1.0
Ag Ag3 1 0.00000000 0.00000000 0.00000000 1.0
