YMg14Cr

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1028040 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

YMg14Cr

MP-ID

mp-1028040

Elements

Sites

Density

2.1688

g/cm³

Volume

368.41

Å³

Cell a

6.4547

Cell b

6.3686

Cell c

10.3032

α Angle

90.00

β Angle

90.00

γ Angle

119.56

Space Group

Amm2

Point Group

mm2

Crystal System

Orthorhombic

Bravais Lattice

Stability

Packing Fraction

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
8.58	10.3032	35.4	(0,0,1)
15.78	5.6145	10.0	(1,0,0)
16.00	5.5397	2.3	(1,-1,0)
17.21	5.1516	8.0	(0,0,2)
17.99	4.9300	14.1	(1,0,1)
18.18	4.8791	3.6	(1,-1,1)
23.44	3.7959	7.3	(1,0,2)
23.58	3.7725	1.4	(1,-1,2)
23.58	3.7725	1.4	(0,1,2)
25.94	3.4344	2.9	(0,0,3)
28.02	3.1843	2.4	(1,-2,0)
29.36	3.0423	4.4	(1,-2,1)
30.51	2.9297	4.0	(1,0,3)
30.63	2.9189	1.9	(1,-1,3)
31.88	2.8073	12.9	(2,0,0)
32.32	2.7698	13.7	(2,-2,0)
32.32	2.7698	13.7	(0,2,0)
32.75	2.7347	1.0	(2,-1,2)
33.07	2.7086	3.1	(1,-2,2)
33.07	2.7085	3.0	(2,0,1)
33.50	2.6749	5.9	(2,-2,1)
34.83	2.5758	39.0	(0,0,4)
36.45	2.4650	53.4	(2,0,2)
36.84	2.4396	100.0	(2,-2,2)

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Energy Properties

Formation Energy/atom

0.09473

eV/atom

Energy/atom

-2.34206

eV/atom

Energy above Hull

0.1091

eV/atom

Uncorrected Energy

-2.3421

eV/atom

Volume/atom

23.03

Å³

c/a Ratio

1.5962

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

4.1159

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.011170

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

0.790

Family

Mg-based Alloy

Matrix Element

Mg · 0.875

Related Tasks

Related computation task IDs (1)

aaacgmua

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1028040

Reference Citation

The crystal structure and related material properties of YMg14Cr were obtained from the Materials Project database (MP-ID: mp-1028040, 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_YMg14Cr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.45464718
_cell_length_b   6.36858719
_cell_length_c   10.30317484
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.55992388
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMg14Cr
_chemical_formula_sum   'Y1 Mg14 Cr1'
_cell_volume   368.40554309
_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  0.16236936  0.33118418  0.12500000  1.0
  Mg  Mg1  1  0.16640611  0.33320256  0.62500000  1.0
  Mg  Mg2  1  0.16543905  0.83271903  0.62500000  1.0
  Mg  Mg3  1  0.65918791  0.32194263  0.12500000  1.0
  Mg  Mg4  1  0.66654079  0.33445529  0.62500000  1.0
  Mg  Mg5  1  0.65918791  0.83724428  0.12500000  1.0
  Mg  Mg6  1  0.66654079  0.83208450  0.62500000  1.0
  Mg  Mg7  1  0.33375000  0.16187488  0.37610580  1.0
  Mg  Mg8  1  0.33375000  0.16187488  0.87389420  1.0
  Mg  Mg9  1  0.33375000  0.67187612  0.37610580  1.0
  Mg  Mg10  1  0.33375000  0.67187612  0.87389420  1.0
  Mg  Mg11  1  0.83299259  0.16649680  0.38125972  1.0
  Mg  Mg12  1  0.83299259  0.16649680  0.86874028  1.0
  Mg  Mg13  1  0.84022407  0.67011253  0.36601270  1.0
  Mg  Mg14  1  0.84022407  0.67011253  0.88398730  1.0
  Cr  Cr15  1  0.17289475  0.83644688  0.12500000  1.0

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