Mg6CdBi
High-Entropy Materials HEA Traditional Materials TRAMP-ID: mp-1017180 · Space group: Amm2 (#38)
Basic Information
Formula
Mg6CdBi
MP-ID
mp-1017180
Elements
3
Sites
16
Density
4.0550
g/cm³
Volume
382.66
ų
Cell a
5.3819
Å
Cell b
6.5097
Å
Cell c
10.9223
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 |
|---|---|---|---|
| 15.85 | 5.5919 | 14.6 | (0,1,1) |
| 16.23 | 5.4612 | 66.0 | (0,0,2) |
| 16.47 | 5.3819 | 64.4 | (1,0,0) |
| 22.93 | 3.8777 | 13.8 | (1,1,1) |
| 23.20 | 3.8333 | 59.6 | (1,0,2) |
| 27.40 | 3.2548 | 19.8 | (0,2,0) |
| 28.08 | 3.1776 | 4.2 | (0,1,3) |
| 32.01 | 2.7959 | 41.1 | (0,2,2) |
| 32.14 | 2.7851 | 26.5 | (1,2,0) |
| 32.73 | 2.7362 | 5.8 | (1,1,3) |
| 32.80 | 2.7306 | 19.2 | (0,0,4) |
| 33.30 | 2.6910 | 37.8 | (2,0,0) |
| 36.20 | 2.4811 | 100.0 | (1,2,2) |
| 36.91 | 2.4351 | 47.5 | (1,0,4) |
| 37.08 | 2.4248 | 4.1 | (2,1,1) |
| 37.25 | 2.4138 | 17.8 | (2,0,2) |
| 42.47 | 2.1283 | 1.6 | (0,3,1) |
| 43.25 | 2.0919 | 12.1 | (0,2,4) |
| 43.64 | 2.0740 | 11.6 | (2,2,0) |
| 43.71 | 2.0710 | 1.5 | (0,1,5) |
| 44.10 | 2.0535 | 2.8 | (2,1,3) |
| 45.85 | 1.9792 | 2.3 | (1,3,1) |
| 46.58 | 1.9498 | 19.0 | (1,2,4) |
| 46.86 | 1.9389 | 28.6 | (2,2,2) |
Energy Properties
Formation Energy/atom
-0.00546
eV/atom
Energy/atom
-1.83457
eV/atom
Energy above Hull
0.0758
eV/atom
Uncorrected Energy
-1.8346
eV/atom
Volume/atom
23.92
ų
c/a Ratio
2.0294
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0034
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000010
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
0.3542
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
1.873%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.2500
smaller = more stable mixing
VEC
3.625
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-14.411
kJ/mol; negative = exothermic mixing
Entropy Norm
0.6696
SS Former
1
Phase Tendency
SS
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.738
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-1017180
Reference Citation
The crystal structure and related material properties of Mg6CdBi were obtained from the Materials Project database (MP-ID: mp-1017180, 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
Loading 3D structure…
Style: Ball & Stick
|
Drag to rotate · Scroll to zoom · Right-click to pan
Raw CIF Data
# generated using pymatgen
data_Mg6CdBi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.38193200
_cell_length_b 6.50968600
_cell_length_c 10.92233300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mg6CdBi
_chemical_formula_sum 'Mg12 Cd2 Bi2'
_cell_volume 382.66052226
_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
Mg Mg0 1 0.50000000 0.24952500 0.58372900 1.0
Mg Mg1 1 0.50000000 0.75047500 0.58372900 1.0
Mg Mg2 1 0.00000000 0.25380200 0.41756800 1.0
Mg Mg3 1 0.00000000 0.74619800 0.41756800 1.0
Mg Mg4 1 0.00000000 0.00000000 0.66685500 1.0
Mg Mg5 1 0.00000000 0.00000000 0.16462200 1.0
Mg Mg6 1 0.50000000 0.74952500 0.08372900 1.0
Mg Mg7 1 0.50000000 0.25047500 0.08372900 1.0
Mg Mg8 1 0.00000000 0.75380200 0.91756800 1.0
Mg Mg9 1 0.00000000 0.24619800 0.91756800 1.0
Mg Mg10 1 0.00000000 0.50000000 0.16685500 1.0
Mg Mg11 1 0.00000000 0.50000000 0.66462200 1.0
Cd Cd12 1 0.50000000 0.00000000 0.83250200 1.0
Cd Cd13 1 0.50000000 0.50000000 0.33250200 1.0
Bi Bi14 1 0.50000000 0.00000000 0.33343200 1.0
Bi Bi15 1 0.50000000 0.50000000 0.83343200 1.0
