BaMg6Co
High-Entropy Materials HEA Traditional Materials TRAMP-ID: mp-1022077 · Space group: Amm2 (#38)
Basic Information
Formula
BaMg6Co
MP-ID
mp-1022077
Elements
3
Sites
16
Density
2.7869
g/cm³
Volume
407.66
ų
Cell a
4.9837
Å
Cell b
5.9495
Å
Cell c
13.7488
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 |
|---|---|---|---|
| 12.88 | 6.8744 | 57.8 | (0,0,2) |
| 16.23 | 5.4602 | 42.5 | (0,1,1) |
| 17.80 | 4.9837 | 47.4 | (1,0,0) |
| 22.03 | 4.0349 | 33.9 | (1,0,2) |
| 24.18 | 3.6810 | 44.9 | (1,1,1) |
| 24.52 | 3.6307 | 45.3 | (0,1,3) |
| 25.92 | 3.4372 | 3.5 | (0,0,4) |
| 30.04 | 2.9748 | 13.6 | (0,2,0) |
| 30.46 | 2.9345 | 100.0 | (1,1,3) |
| 31.62 | 2.8295 | 49.0 | (1,0,4) |
| 32.80 | 2.7301 | 41.0 | (0,2,2) |
| 35.13 | 2.5543 | 17.4 | (1,2,0) |
| 35.98 | 2.4961 | 47.1 | (0,1,5) |
| 36.04 | 2.4919 | 49.3 | (2,0,0) |
| 37.56 | 2.3944 | 93.4 | (1,2,2) |
| 38.42 | 2.3427 | 8.2 | (2,0,2) |
| 39.32 | 2.2915 | 4.9 | (0,0,6) |
| 39.76 | 2.2670 | 9.0 | (2,1,1) |
| 40.09 | 2.2493 | 1.8 | (0,2,4) |
| 40.42 | 2.2318 | 26.1 | (1,1,5) |
| 44.08 | 2.0545 | 18.6 | (2,1,3) |
| 44.93 | 2.0175 | 1.6 | (2,0,4) |
| 46.25 | 1.9629 | 3.5 | (0,3,1) |
| 47.60 | 1.9102 | 7.4 | (2,2,0) |
Energy Properties
Formation Energy/atom
0.23175
eV/atom
Energy/atom
-2.12266
eV/atom
Energy above Hull
0.2650
eV/atom
Uncorrected Energy
-2.1227
eV/atom
Volume/atom
25.48
ų
c/a Ratio
2.7587
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0084
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
0.5665
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
14.100%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.2496
smaller = more stable mixing
VEC
2.875
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-11.209
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
0.612
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-1022077
Reference Citation
The crystal structure and related material properties of BaMg6Co were obtained from the Materials Project database (MP-ID: mp-1022077, 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_BaMg6Co
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.98374000
_cell_length_b 5.94952300
_cell_length_c 13.74880700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural BaMg6Co
_chemical_formula_sum 'Ba2 Mg12 Co2'
_cell_volume 407.66416815
_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
Ba Ba0 1 0.50000000 0.50000000 0.20207000 1.0
Ba Ba1 1 0.50000000 0.00000000 0.70207000 1.0
Mg Mg2 1 0.50000000 0.24464000 0.44512700 1.0
Mg Mg3 1 0.50000000 0.75536000 0.44512700 1.0
Mg Mg4 1 0.00000000 0.76533800 0.07502100 1.0
Mg Mg5 1 0.00000000 0.23466200 0.07502100 1.0
Mg Mg6 1 0.00000000 0.00000000 0.28934500 1.0
Mg Mg7 1 0.00000000 0.50000000 0.37377300 1.0
Mg Mg8 1 0.50000000 0.74464000 0.94512700 1.0
Mg Mg9 1 0.50000000 0.25536000 0.94512700 1.0
Mg Mg10 1 0.00000000 0.26533800 0.57502100 1.0
Mg Mg11 1 0.00000000 0.73466200 0.57502100 1.0
Mg Mg12 1 0.00000000 0.50000000 0.78934500 1.0
Mg Mg13 1 0.00000000 0.00000000 0.87377300 1.0
Co Co14 1 0.50000000 0.00000000 0.09451100 1.0
Co Co15 1 0.50000000 0.50000000 0.59451100 1.0
