Mg(Co3P2)2

High-Entropy Materials HEA Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-10924 · Space group: P-6m2 (#187)

Materials Project API

Basic Information

Formula

Mg(Co3P2)2

MP-ID

mp-10924

Elements

Sites

Density

6.7884

g/cm³

Volume

122.75

Å³

Cell a

6.5042

Cell b

6.5043

Cell c

3.3504

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

Yes

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
15.73	5.6328	30.9	(0,1,-1,0)
15.73	5.6328	30.9	(1,-1,0,0)
15.73	5.6328	30.8	(1,0,-1,0)
26.61	3.3504	2.8	(0,0,0,1)
27.43	3.2521	3.7	(1,-2,1,0)
27.43	3.2521	3.7	(1,1,-2,0)
27.43	3.2521	3.7	(2,-1,-1,0)
31.06	2.8795	20.4	(0,1,-1,1)
31.06	2.8795	20.4	(1,-1,0,1)
31.06	2.8795	20.4	(1,0,-1,1)
31.77	2.8164	3.2	(0,2,-2,0)
31.77	2.8164	3.2	(2,-2,0,0)
31.77	2.8164	3.2	(2,0,-2,0)
38.58	2.3336	10.7	(1,-2,1,1)
38.58	2.3336	10.7	(1,1,-2,1)
38.58	2.3336	10.7	(2,-1,-1,1)
41.90	2.1559	100.0	(0,2,-2,1)
41.90	2.1559	100.0	(2,-2,0,1)
41.90	2.1559	100.0	(2,0,-2,1)
42.46	2.1290	11.4	(1,-3,2,0)
42.46	2.1290	11.4	(2,-3,1,0)
42.46	2.1290	11.4	(1,2,-3,0)
42.46	2.1290	11.4	(3,-2,-1,0)
42.46	2.1290	11.4	(2,1,-3,0)

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Energy Properties

Formation Energy/atom

-0.61776

eV/atom

Energy/atom

-6.62621

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-11.4136

eV/atom

Volume/atom

11.16

Å³

c/a Ratio

0.5151

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

2.0424

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.016640

μB/Å³

Elastic Properties

K_VRH

203.708

GPa

G_VRH

97.656

GPa

Young's Modulus E

252.603

GPa

Poisson Ratio ν

0.293

Pugh Ratio K/G

2.086

Vickers Hardness Est.

9.343

GPa

Ductility

Brittle

Anisotropy

0.126

Lame λ

138.604

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Co · 0.545

Element Family

3d-TM

Solute Fraction

0.455

Interstitial Fraction

0.364

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9165

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.6195

J/mol·K

Ω Parameter

1.4849

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

11.173%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2465

smaller = more stable mixing

VEC

6.909

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-5.971

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8342

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.731

Family

Co-based Alloy

Matrix Element

Co · 0.545

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.1260

Homogeneous Poisson ν

0.2930

Debye Temperature

563.8

Sound Velocity

4,233.0

m/s

Homogeneity

0.2930

Related Tasks

Related computation task IDs (3)

aaacautx aaadssgs aaaekuwo

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-10924

Reference Citation

The crystal structure and related material properties of Mg(Co3P2)2 were obtained from the Materials Project database (MP-ID: mp-10924, 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_Mg(Co3P2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.50416725
_cell_length_b   6.50424906
_cell_length_c   3.35038078
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00026243
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg(Co3P2)2
_chemical_formula_sum   'Mg1 Co6 P4'
_cell_volume   122.74746019
_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  -0.00001679  0.99998792  -0.00000000  1.0
  Co  Co1  1  0.19944558  0.80055337  0.50000000  1.0
  Co  Co2  1  0.19944593  0.39889501  0.50000000  1.0
  Co  Co3  1  0.53535992  0.07071307  0.00000000  1.0
  Co  Co4  1  0.92929083  0.46464167  -0.00000000  1.0
  Co  Co5  1  0.53535515  0.46464598  -0.00000000  1.0
  Co  Co6  1  0.60110468  0.80055533  0.50000000  1.0
  P  P7  1  0.81470889  0.18530249  0.50000000  1.0
  P  P8  1  0.37059880  0.18529960  0.50000000  1.0
  P  P9  1  0.33332992  0.66666689  -0.00000000  1.0
  P  P10  1  0.81470809  0.62940666  0.50000000  1.0

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