CeMg6W
High-Entropy Materials HEA Traditional Materials TRAMP-ID: mp-1021210 · Space group: Amm2 (#38)
Basic Information
Formula
CeMg6W
MP-ID
mp-1021210
Elements
3
Sites
16
Density
4.3764
g/cm³
Volume
356.50
ų
Cell a
4.8597
Å
Cell b
6.3685
Å
Cell c
11.5191
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 |
|---|---|---|---|
| 15.38 | 5.7596 | 39.4 | (0,0,2) |
| 15.90 | 5.5734 | 100.0 | (0,1,1) |
| 23.96 | 3.7142 | 14.0 | (1,0,2) |
| 24.30 | 3.6628 | 7.5 | (1,1,1) |
| 27.12 | 3.2883 | 14.6 | (0,1,3) |
| 28.02 | 3.1842 | 14.1 | (0,2,0) |
| 32.12 | 2.7867 | 33.4 | (0,2,2) |
| 32.89 | 2.7234 | 23.1 | (1,1,3) |
| 36.26 | 2.4775 | 40.6 | (1,0,4) |
| 37.00 | 2.4298 | 21.3 | (2,0,0) |
| 37.19 | 2.4174 | 37.6 | (1,2,2) |
| 40.28 | 2.2388 | 7.4 | (2,0,2) |
| 40.50 | 2.2274 | 19.9 | (2,1,1) |
| 42.32 | 2.1359 | 1.5 | (0,2,4) |
| 43.34 | 2.0877 | 8.1 | (0,3,1) |
| 45.86 | 1.9787 | 17.8 | (1,1,5) |
| 46.44 | 1.9553 | 12.8 | (1,2,4) |
| 46.47 | 1.9542 | 6.8 | (2,1,3) |
| 47.04 | 1.9317 | 7.0 | (2,2,0) |
| 47.39 | 1.9182 | 1.5 | (1,3,1) |
| 49.03 | 1.8578 | 3.0 | (0,3,3) |
| 49.79 | 1.8314 | 19.4 | (2,2,2) |
| 51.16 | 1.7856 | 5.4 | (1,0,6) |
| 52.75 | 1.7353 | 6.1 | (1,3,3) |
Energy Properties
Formation Energy/atom
0.24968
eV/atom
Energy/atom
-13.15335
eV/atom
Energy above Hull
0.2871
eV/atom
Uncorrected Energy
-3.2887
eV/atom
Volume/atom
22.28
ų
c/a Ratio
2.3704
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0089
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000020
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Mg · 0.750
Element Family
Alkali-AlkEarth
Solute Fraction
0.250
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.7356
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
6.1160
J/mol·K
Ω Parameter
1.0306
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
7.185%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3616
smaller = more stable mixing
VEC
2.625
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-7.641
kJ/mol; negative = exothermic mixing
Entropy Norm
0.6696
SS Former
0
Phase Tendency
IM
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
C
Score
0.637
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-1021210
Reference Citation
The crystal structure and related material properties of CeMg6W were obtained from the Materials Project database (MP-ID: mp-1021210, 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_CeMg6W
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.85967000
_cell_length_b 6.36845700
_cell_length_c 11.51913900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CeMg6W
_chemical_formula_sum 'Ce2 Mg12 W2'
_cell_volume 356.50121868
_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 0.29904900 1.0
Ce Ce1 1 0.00000000 0.00000000 0.79904900 1.0
Mg Mg2 1 0.00000000 0.74368300 0.07164600 1.0
Mg Mg3 1 0.00000000 0.25631700 0.07164600 1.0
Mg Mg4 1 0.00000000 0.00000000 0.33559400 1.0
Mg Mg5 1 0.50000000 0.24628800 0.42568000 1.0
Mg Mg6 1 0.50000000 0.75371200 0.42568000 1.0
Mg Mg7 1 0.50000000 0.00000000 0.17301300 1.0
Mg Mg8 1 0.00000000 0.24368300 0.57164600 1.0
Mg Mg9 1 0.00000000 0.75631700 0.57164600 1.0
Mg Mg10 1 0.00000000 0.50000000 0.83559400 1.0
Mg Mg11 1 0.50000000 0.74628800 0.92568000 1.0
Mg Mg12 1 0.50000000 0.25371200 0.92568000 1.0
Mg Mg13 1 0.50000000 0.50000000 0.67301300 1.0
W W14 1 0.50000000 0.50000000 0.19769200 1.0
W W15 1 0.50000000 0.00000000 0.69769200 1.0
