YMg14Cr

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1028015 · Space group: P-6m2 (#187)

Materials Project API

Basic Information

Formula

YMg14Cr

MP-ID

mp-1028015

Elements

Sites

Density

2.1589

g/cm³

Volume

370.10

Å³

Cell a

6.4302

Cell b

6.4302

Cell c

10.3357

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
8.56	10.3357	2.2	(0,0,0,1)
15.91	5.5688	19.2	(1,0,-1,0)
17.16	5.1679	5.3	(0,0,0,2)
18.09	4.9025	2.4	(1,0,-1,1)
18.09	4.9025	1.2	(0,1,-1,1)
23.49	3.7880	14.2	(1,0,-1,2)
27.75	3.2151	4.9	(2,-1,-1,0)
29.09	3.0700	1.6	(2,-1,-1,1)
30.51	2.9299	1.7	(1,0,-1,3)
32.15	2.7844	26.3	(2,0,-2,0)
32.81	2.7299	6.1	(2,-1,-1,2)
33.33	2.6885	1.1	(2,0,-2,1)
34.72	2.5839	25.4	(0,0,0,4)
36.66	2.4512	100.0	(2,0,-2,2)
38.40	2.3439	4.0	(1,0,-1,4)
42.97	2.1048	1.7	(3,-1,-2,0)
45.01	2.0141	2.5	(2,-1,-1,4)
46.59	1.9493	4.8	(3,-1,-2,2)
48.04	1.8940	16.2	(2,0,-2,4)
52.37	1.7470	1.5	(3,0,-3,2)
55.87	1.6457	1.2	(1,0,-1,6)
56.38	1.6319	2.2	(3,-1,-2,4)
57.31	1.6076	17.0	(4,-2,-2,0)
62.79	1.4798	1.1	(3,1,-4,2)

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Energy Properties

Formation Energy/atom

0.10803

eV/atom

Energy/atom

-2.32877

eV/atom

Energy above Hull

0.1224

eV/atom

Uncorrected Energy

-2.3288

eV/atom

Volume/atom

23.13

Å³

c/a Ratio

1.6074

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

4.6004

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.012430

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

0.6828

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

5.905%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.0889

smaller = more stable mixing

VEC

2.313

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-5.960

kJ/mol; negative = exothermic mixing

Entropy Norm

0.4218

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.781

Family

Mg-based Alloy

Matrix Element

Mg · 0.875

Related Tasks

Related computation task IDs (1)

aaacgmtb

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1028015

Reference Citation

The crystal structure and related material properties of YMg14Cr were obtained from the Materials Project database (MP-ID: mp-1028015, 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_YMg14Cr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.43023377
_cell_length_b   6.43023324
_cell_length_c   10.33570366
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000279
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMg14Cr
_chemical_formula_sum   'Y1 Mg14 Cr1'
_cell_volume   370.10432168
_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
  Y  Y0  1  0.16666700  0.33333300  0.12500000  1.0
  Mg  Mg1  1  0.17629258  0.83814579  0.12500000  1.0
  Mg  Mg2  1  0.16627051  0.83313476  0.62500000  1.0
  Mg  Mg3  1  0.66185421  0.32370742  0.12500000  1.0
  Mg  Mg4  1  0.66686524  0.33372949  0.62500000  1.0
  Mg  Mg5  1  0.66185421  0.83814579  0.12500000  1.0
  Mg  Mg6  1  0.66686524  0.83313476  0.62500000  1.0
  Mg  Mg7  1  0.33158724  0.16841276  0.38317403  1.0
  Mg  Mg8  1  0.33158724  0.16841276  0.86682597  1.0
  Mg  Mg9  1  0.33158724  0.66317548  0.38317403  1.0
  Mg  Mg10  1  0.33158724  0.66317548  0.86682597  1.0
  Mg  Mg11  1  0.83682452  0.16841276  0.38317403  1.0
  Mg  Mg12  1  0.83682452  0.16841276  0.86682597  1.0
  Mg  Mg13  1  0.83333300  0.66666700  0.37043042  1.0
  Mg  Mg14  1  0.83333300  0.66666700  0.87956958  1.0
  Cr  Cr15  1  0.16666700  0.33333300  0.62500000  1.0

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