Mg14CdBi

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1026441 · Space group: P-6m2 (#187)

Materials Project API

Basic Information

Formula

Mg14CdBi

MP-ID

mp-1026441

Elements

Sites

Density

2.9572

g/cm³

Volume

371.54

Å³

Cell a

6.4090

Cell b

6.4090

Cell c

10.4448

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P-6m2

Point Group

-6m2

Crystal System

Hexagonal

Bravais Lattice

Stability

Packing Fraction

0.7405

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å

Diffraction Peaks (Top 24)

2θ	d (Å)	I	hkl
8.47	10.4448	8.4	(0,0,0,1)
15.97	5.5504	71.4	(1,0,-1,0)
16.98	5.2224	21.4	(0,0,0,2)
18.10	4.9013	7.9	(1,0,-1,1)
18.10	4.9013	3.9	(0,1,-1,1)
23.39	3.8035	63.4	(1,0,-1,2)
25.59	3.4816	1.4	(0,0,0,3)
27.84	3.2045	20.3	(2,-1,-1,0)
29.15	3.0636	1.4	(2,-1,-1,1)
29.15	3.0636	2.8	(1,1,-2,1)
30.30	2.9494	3.9	(1,0,-1,3)
32.26	2.7752	22.0	(2,0,-2,0)
32.26	2.7752	11.0	(0,2,-2,0)
32.79	2.7313	26.7	(2,-1,-1,2)
33.41	2.6821	3.1	(2,0,-2,1)
34.34	2.6112	25.2	(0,0,0,4)
36.67	2.4507	100.0	(2,0,-2,2)
38.09	2.3628	17.5	(1,0,-1,4)
38.17	2.3578	1.9	(2,-1,-1,3)
41.62	2.1701	1.4	(2,0,-2,3)
43.12	2.0978	8.9	(3,-1,-2,0)
43.12	2.0978	4.5	(1,2,-3,0)
44.03	2.0568	2.9	(3,-1,-2,1)
44.77	2.0243	11.5	(2,-1,-1,4)

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Energy Properties

Formation Energy/atom

-0.00099

eV/atom

Energy/atom

-1.73078

eV/atom

Energy above Hull

0.0397

eV/atom

Uncorrected Energy

-1.7308

eV/atom

Volume/atom

23.22

Å³

c/a Ratio

1.6297

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0000

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Mg · 0.875

Element Family

Alkali-AlkEarth

Solute Fraction

0.125

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.4634

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

3.8528

J/mol·K

Ω Parameter

0.4149

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

1.366%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.1894

smaller = more stable mixing

VEC

2.813

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-8.160

kJ/mol; negative = exothermic mixing

Entropy Norm

0.4218

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.796

Family

Mg-based Alloy

Matrix Element

Mg · 0.875

Related Tasks

Related computation task IDs (1)

aaacgkkn

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1026441

Reference Citation

The crystal structure and related material properties of Mg14CdBi were obtained from the Materials Project database (MP-ID: mp-1026441, 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…

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Raw CIF Data

# generated using pymatgen
data_Mg14CdBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.40899840
_cell_length_b   6.40899787
_cell_length_c   10.44476960
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000271
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg14CdBi
_chemical_formula_sum   'Mg14 Cd1 Bi1'
_cell_volume   371.54359152
_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
  Mg  Mg0  1  0.16636593  0.83318247  0.12500000  1.0
  Mg  Mg1  1  0.16590159  0.83295029  0.62500000  1.0
  Mg  Mg2  1  0.66681753  0.33363407  0.12500000  1.0
  Mg  Mg3  1  0.66704971  0.33409841  0.62500000  1.0
  Mg  Mg4  1  0.66681753  0.83318247  0.12500000  1.0
  Mg  Mg5  1  0.66704971  0.83295029  0.62500000  1.0
  Mg  Mg6  1  0.33627739  0.16372261  0.36869841  1.0
  Mg  Mg7  1  0.33627739  0.16372261  0.88130159  1.0
  Mg  Mg8  1  0.33627739  0.67255578  0.36869841  1.0
  Mg  Mg9  1  0.33627739  0.67255578  0.88130159  1.0
  Mg  Mg10  1  0.82744422  0.16372261  0.36869841  1.0
  Mg  Mg11  1  0.82744422  0.16372261  0.88130159  1.0
  Mg  Mg12  1  0.83333300  0.66666700  0.37467968  1.0
  Mg  Mg13  1  0.83333300  0.66666700  0.87532032  1.0
  Cd  Cd14  1  0.16666700  0.33333300  0.12500000  1.0
  Bi  Bi15  1  0.16666700  0.33333300  0.62500000  1.0

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