Basic Information
Formula
CeMg14Co
MP-ID
mp-1099102
Elements
3
Sites
16
Density
2.4833
g/cm³
Volume
360.63
ų
Cell a
6.4307
Å
Cell b
6.4307
Å
Cell c
10.0698
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 |
|---|---|---|---|
| 8.78 | 10.0698 | 7.6 | (0,0,0,1) |
| 15.91 | 5.5691 | 38.9 | (1,0,-1,0) |
| 17.62 | 5.0349 | 10.3 | (0,0,0,2) |
| 18.20 | 4.8734 | 12.6 | (1,0,-1,1) |
| 23.82 | 3.7348 | 28.1 | (1,0,-1,2) |
| 26.56 | 3.3566 | 2.1 | (0,0,0,3) |
| 27.75 | 3.2153 | 10.1 | (2,-1,-1,0) |
| 29.16 | 3.0630 | 3.7 | (2,-1,-1,1) |
| 29.16 | 3.0630 | 1.9 | (1,1,-2,1) |
| 31.11 | 2.8748 | 5.6 | (1,0,-1,3) |
| 32.15 | 2.7846 | 29.2 | (2,0,-2,0) |
| 33.06 | 2.7099 | 12.6 | (2,-1,-1,2) |
| 33.39 | 2.6838 | 3.8 | (2,0,-2,1) |
| 35.66 | 2.5174 | 23.1 | (0,0,0,4) |
| 36.89 | 2.4367 | 100.0 | (2,0,-2,2) |
| 38.78 | 2.3219 | 1.1 | (2,-1,-1,3) |
| 39.27 | 2.2940 | 8.0 | (1,0,-1,4) |
| 42.17 | 2.1431 | 1.3 | (2,0,-2,3) |
| 42.97 | 2.1049 | 3.7 | (3,-1,-2,0) |
| 42.97 | 2.1049 | 1.9 | (2,1,-3,0) |
| 43.95 | 2.0604 | 3.0 | (3,-1,-2,1) |
| 45.78 | 1.9822 | 5.3 | (2,-1,-1,4) |
| 46.78 | 1.9420 | 6.9 | (3,-1,-2,2) |
| 46.78 | 1.9420 | 3.5 | (2,1,-3,2) |
Energy Properties
Formation Energy/atom
0.14872
eV/atom
Energy/atom
-2.09484
eV/atom
Energy above Hull
0.1713
eV/atom
Uncorrected Energy
-2.0948
eV/atom
Volume/atom
22.54
ų
c/a Ratio
1.5659
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
3.1948
μB
Mag. Ordering
FM
Mag. Sites
2
Magnetization/Volume
0.008860
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-1099102
Reference Citation
The crystal structure and related material properties of CeMg14Co were obtained from the Materials Project database (MP-ID: mp-1099102, 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_CeMg14Co
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.43064841
_cell_length_b 6.43064841
_cell_length_c 10.06975900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000418
_symmetry_Int_Tables_number 1
_chemical_formula_structural CeMg14Co
_chemical_formula_sum 'Ce1 Mg14 Co1'
_cell_volume 360.62781515
_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 0.00000000 0.00000000 0.50000000 1.0
Mg Mg1 1 0.99741900 0.49870900 0.00000000 1.0
Mg Mg2 1 0.01138200 0.50569100 0.50000000 1.0
Mg Mg3 1 0.50129100 0.00258100 0.00000000 1.0
Mg Mg4 1 0.49430900 0.98861800 0.50000000 1.0
Mg Mg5 1 0.50129100 0.49870900 0.00000000 1.0
Mg Mg6 1 0.49430900 0.50569100 0.50000000 1.0
Mg Mg7 1 0.16375500 0.83624500 0.23452500 1.0
Mg Mg8 1 0.16375500 0.83624500 0.76547500 1.0
Mg Mg9 1 0.16375500 0.32751100 0.23452500 1.0
Mg Mg10 1 0.16375500 0.32751100 0.76547500 1.0
Mg Mg11 1 0.67248900 0.83624500 0.23452500 1.0
Mg Mg12 1 0.67248900 0.83624500 0.76547500 1.0
Mg Mg13 1 0.66666700 0.33333300 0.25823100 1.0
Mg Mg14 1 0.66666700 0.33333300 0.74176900 1.0
Co Co15 1 0.00000000 0.00000000 0.00000000 1.0
