SrMg14Cr

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1026596 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

SrMg14Cr

MP-ID

mp-1026596

Elements

Sites

Density

2.0766

g/cm³

Volume

383.75

Å³

Cell a

6.5204

Cell b

6.4725

Cell c

10.4740

α Angle

90.00

β Angle

90.00

γ Angle

119.76

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
8.44	10.4740	28.5	(0,0,1)
15.66	5.6606	8.3	(1,0,0)
15.77	5.6190	1.4	(1,-1,0)
16.93	5.2370	7.7	(0,0,2)
17.81	4.9799	12.7	(1,0,1)
17.91	4.9515	2.6	(1,-1,1)
23.14	3.8442	7.4	(1,0,2)
23.22	3.8311	2.8	(1,-1,2)
25.51	3.4913	4.0	(0,0,3)
27.56	3.2363	2.4	(1,-2,0)
28.68	3.1128	1.8	(2,-1,1)
28.88	3.0920	4.5	(1,-2,1)
30.07	2.9716	4.1	(1,0,3)
30.14	2.9655	2.5	(1,-1,3)
31.61	2.8303	12.6	(2,0,0)
31.85	2.8095	27.5	(2,-2,0)
32.52	2.7530	3.0	(1,-2,2)
32.78	2.7323	3.1	(2,0,1)
33.01	2.7136	6.1	(2,-2,1)
34.24	2.6185	38.7	(0,0,4)
36.07	2.4899	52.9	(2,0,2)
36.29	2.4757	100.0	(2,-2,2)
37.86	2.3766	1.9	(1,0,4)
37.91	2.3734	1.5	(1,-2,3)

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Energy Properties

Formation Energy/atom

0.14497

eV/atom

Energy/atom

-1.99079

eV/atom

Energy above Hull

0.1595

eV/atom

Uncorrected Energy

-1.9908

eV/atom

Volume/atom

23.98

Å³

c/a Ratio

1.6064

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

3.8499

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.010030

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

1.7305

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

7.973%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.1255

smaller = more stable mixing

VEC

2.250

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-2.248

kJ/mol; negative = exothermic mixing

Entropy Norm

0.4218

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.716

Family

Mg-based Alloy

Matrix Element

Mg · 0.875

Related Tasks

Related computation task IDs (1)

aaacgkqm

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1026596

Reference Citation

The crystal structure and related material properties of SrMg14Cr were obtained from the Materials Project database (MP-ID: mp-1026596, 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_SrMg14Cr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.52037719
_cell_length_b   6.47249514
_cell_length_c   10.47403009
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.75738215
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrMg14Cr
_chemical_formula_sum   'Sr1 Mg14 Cr1'
_cell_volume   383.74742320
_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
  Sr  Sr0  1  0.16256776  0.33128338  0.12500000  1.0
  Mg  Mg1  1  0.16752505  0.33376203  0.62500000  1.0
  Mg  Mg2  1  0.16440931  0.83220416  0.62500000  1.0
  Mg  Mg3  1  0.65787092  0.32083496  0.12500000  1.0
  Mg  Mg4  1  0.66629781  0.33548985  0.62500000  1.0
  Mg  Mg5  1  0.65787092  0.83703496  0.12500000  1.0
  Mg  Mg6  1  0.66629781  0.83080696  0.62500000  1.0
  Mg  Mg7  1  0.33747122  0.15901223  0.38263946  1.0
  Mg  Mg8  1  0.33747122  0.15901223  0.86736054  1.0
  Mg  Mg9  1  0.33747122  0.67845999  0.38263946  1.0
  Mg  Mg10  1  0.33747122  0.67845999  0.86736054  1.0
  Mg  Mg11  1  0.82633272  0.16316686  0.38925402  1.0
  Mg  Mg12  1  0.82633272  0.16316686  0.86074598  1.0
  Mg  Mg13  1  0.84052679  0.67026389  0.36403351  1.0
  Mg  Mg14  1  0.84052679  0.67026389  0.88596649  1.0
  Cr  Cr15  1  0.17355651  0.83677776  0.12500000  1.0

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