Basic Information
Formula
CeMg6Co
MP-ID
mp-1022108
Elements
3
Sites
16
Density
3.2228
g/cm³
Volume
355.39
ų
Cell a
4.9548
Å
Cell b
5.6713
Å
Cell c
12.6474
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Amm2
Point Group
mm2
Crystal System
Orthorhombic
Bravais Lattice
oC
Stability
No
Packing Fraction
-
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 |
|---|---|---|---|
| 14.00 | 6.3237 | 88.0 | (0,0,2) |
| 17.14 | 5.1748 | 27.7 | (0,1,1) |
| 17.90 | 4.9548 | 50.7 | (1,0,0) |
| 22.80 | 3.9002 | 48.5 | (1,0,2) |
| 24.88 | 3.5788 | 32.5 | (1,1,1) |
| 26.34 | 3.3834 | 12.0 | (0,1,3) |
| 28.22 | 3.1619 | 17.6 | (0,0,4) |
| 31.55 | 2.8356 | 12.7 | (0,2,0) |
| 32.03 | 2.7941 | 40.8 | (1,1,3) |
| 33.62 | 2.6654 | 87.9 | (1,0,4) |
| 34.67 | 2.5874 | 52.2 | (0,2,2) |
| 36.26 | 2.4774 | 49.3 | (2,0,0) |
| 36.51 | 2.4611 | 17.1 | (1,2,0) |
| 38.99 | 2.3101 | 18.2 | (0,1,5) |
| 39.05 | 2.3067 | 14.3 | (2,0,2) |
| 39.28 | 2.2935 | 100.0 | (1,2,2) |
| 40.36 | 2.2345 | 6.6 | (2,1,1) |
| 42.84 | 2.1110 | 9.1 | (0,2,4) |
| 42.90 | 2.1079 | 1.1 | (0,0,6) |
| 43.21 | 2.0937 | 16.6 | (1,1,5) |
| 45.37 | 1.9989 | 5.7 | (2,1,3) |
| 46.57 | 1.9501 | 8.8 | (2,0,4) |
| 46.78 | 1.9421 | 10.4 | (1,2,4) |
| 46.84 | 1.9397 | 6.7 | (1,0,6) |
Energy Properties
Formation Energy/atom
0.16254
eV/atom
Energy/atom
-2.69411
eV/atom
Energy above Hull
0.2076
eV/atom
Uncorrected Energy
-2.6941
eV/atom
Volume/atom
22.21
ų
c/a Ratio
2.5526
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.8373
μB
Mag. Ordering
FM
Mag. Sites
1
Magnetization/Volume
0.002360
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Mg · 0.750
Element Family
N/A
Solute Fraction
0.250
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.690
Family
Mg-based Alloy
Matrix Element
Mg · 0.750
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1022108
Reference Citation
The crystal structure and related material properties of CeMg6Co were obtained from the Materials Project database (MP-ID: mp-1022108, 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_CeMg6Co
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.95480900
_cell_length_b 5.67127800
_cell_length_c 12.64744100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CeMg6Co
_chemical_formula_sum 'Ce2 Mg12 Co2'
_cell_volume 355.39434769
_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
Ce Ce0 1 0.00000000 0.50000000 0.19026500 1.0
Ce Ce1 1 0.00000000 0.00000000 0.69026500 1.0
Mg Mg2 1 0.00000000 0.25141400 0.43916000 1.0
Mg Mg3 1 0.00000000 0.74858600 0.43916000 1.0
Mg Mg4 1 0.50000000 0.75477800 0.07575700 1.0
Mg Mg5 1 0.50000000 0.24522200 0.07575700 1.0
Mg Mg6 1 0.50000000 0.00000000 0.28335600 1.0
Mg Mg7 1 0.50000000 0.50000000 0.35186500 1.0
Mg Mg8 1 0.00000000 0.75141400 0.93916000 1.0
Mg Mg9 1 0.00000000 0.24858600 0.93916000 1.0
Mg Mg10 1 0.50000000 0.25477800 0.57575700 1.0
Mg Mg11 1 0.50000000 0.74522200 0.57575700 1.0
Mg Mg12 1 0.50000000 0.50000000 0.78335600 1.0
Mg Mg13 1 0.50000000 0.00000000 0.85186500 1.0
Co Co14 1 0.00000000 0.00000000 0.14467600 1.0
Co Co15 1 0.00000000 0.50000000 0.64467600 1.0
