Basic Information
Formula
CeMg14Ni
MP-ID
mp-1028403
Elements
3
Sites
16
Density
2.2732
g/cm³
Volume
393.80
ų
Cell a
6.5870
Å
Cell b
6.5870
Å
Cell c
10.4801
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 |
|---|---|---|---|
| 8.44 | 10.4801 | 6.1 | (0,0,0,1) |
| 15.53 | 5.7045 | 41.8 | (1,0,-1,0) |
| 16.92 | 5.2400 | 11.1 | (0,0,0,2) |
| 17.70 | 5.0104 | 10.8 | (1,0,-1,1) |
| 23.05 | 3.8590 | 27.5 | (1,0,-1,2) |
| 25.50 | 3.4934 | 2.5 | (0,0,0,3) |
| 27.07 | 3.2935 | 10.4 | (2,-1,-1,0) |
| 28.41 | 3.1420 | 1.8 | (2,-1,-1,1) |
| 28.41 | 3.1420 | 3.6 | (1,1,-2,1) |
| 29.99 | 2.9791 | 6.3 | (1,0,-1,3) |
| 31.36 | 2.8523 | 29.2 | (2,0,-2,0) |
| 32.10 | 2.7885 | 12.9 | (2,-1,-1,2) |
| 32.53 | 2.7522 | 3.6 | (2,0,-2,1) |
| 34.22 | 2.6200 | 23.4 | (0,0,0,4) |
| 35.85 | 2.5052 | 100.0 | (2,0,-2,2) |
| 37.78 | 2.3809 | 9.0 | (1,0,-1,4) |
| 40.84 | 2.2094 | 1.2 | (2,0,-2,3) |
| 41.90 | 2.1561 | 1.7 | (3,-1,-2,0) |
| 41.90 | 2.1561 | 3.4 | (2,1,-3,0) |
| 42.82 | 2.1119 | 1.9 | (2,1,-3,1) |
| 44.17 | 2.0504 | 5.8 | (2,-1,-1,4) |
| 45.49 | 1.9939 | 12.3 | (3,-1,-2,2) |
| 47.10 | 1.9295 | 18.2 | (2,0,-2,4) |
| 47.84 | 1.9015 | 2.2 | (3,0,-3,0) |
Energy Properties
Formation Energy/atom
0.12396
eV/atom
Energy/atom
-2.03502
eV/atom
Energy above Hull
0.1718
eV/atom
Uncorrected Energy
-2.0350
eV/atom
Volume/atom
24.61
ų
c/a Ratio
1.5910
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
1.2071
μB
Mag. Ordering
FM
Mag. Sites
2
Magnetization/Volume
0.003070
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Mg · 0.875
Element Family
N/A
Solute Fraction
0.125
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.748
Family
Mg-based Alloy
Matrix Element
Mg · 0.875
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1028403
Reference Citation
The crystal structure and related material properties of CeMg14Ni were obtained from the Materials Project database (MP-ID: mp-1028403, 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_CeMg14Ni
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.58701106
_cell_length_b 6.58701049
_cell_length_c 10.48007851
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000284
_symmetry_Int_Tables_number 1
_chemical_formula_structural CeMg14Ni
_chemical_formula_sum 'Ce1 Mg14 Ni1'
_cell_volume 393.79654671
_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 0.16666700 0.33333300 0.62500000 1.0
Mg Mg1 1 0.15915724 0.82957812 0.12500000 1.0
Mg Mg2 1 0.18250017 0.84124958 0.62500000 1.0
Mg Mg3 1 0.67042188 0.34084276 0.12500000 1.0
Mg Mg4 1 0.65875042 0.31749983 0.62500000 1.0
Mg Mg5 1 0.67042188 0.82957812 0.12500000 1.0
Mg Mg6 1 0.65875042 0.84124958 0.62500000 1.0
Mg Mg7 1 0.32610553 0.17389447 0.35488788 1.0
Mg Mg8 1 0.32610553 0.17389447 0.89511212 1.0
Mg Mg9 1 0.32610553 0.65221206 0.35488788 1.0
Mg Mg10 1 0.32610553 0.65221206 0.89511212 1.0
Mg Mg11 1 0.84778794 0.17389447 0.35488788 1.0
Mg Mg12 1 0.84778794 0.17389447 0.89511212 1.0
Mg Mg13 1 0.83333300 0.66666700 0.38604876 1.0
Mg Mg14 1 0.83333300 0.66666700 0.86395124 1.0
Ni Ni15 1 0.16666700 0.33333300 0.12500000 1.0
