RbSrMg14

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1026650 · Space group: P-6m2 (#187)

Materials Project API

Basic Information

Formula

RbSrMg14

MP-ID

mp-1026650

Elements

Sites

Density

1.9548

g/cm³

Volume

436.09

Å³

Cell a

6.8900

Cell b

6.8900

Cell c

10.6074

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
14.85	5.9669	31.3	(1,0,-1,0)
16.72	5.3037	10.3	(0,0,0,2)
22.43	3.9641	26.2	(1,0,-1,2)
22.43	3.9641	13.1	(0,1,-1,2)
25.86	3.4450	11.8	(2,-1,-1,0)
29.95	2.9835	42.1	(2,0,-2,0)
30.95	2.8890	4.5	(2,-1,-1,2)
30.95	2.8890	9.0	(1,1,-2,2)
33.80	2.6519	35.1	(0,0,0,4)
34.49	2.6003	100.0	(2,0,-2,2)
34.49	2.6003	50.0	(0,2,-2,2)
37.10	2.4233	6.8	(1,0,-1,4)
39.98	2.2553	10.7	(3,-1,-2,0)
43.04	2.1014	2.0	(2,-1,-1,4)
43.04	2.1014	4.0	(1,1,-2,4)
43.61	2.0754	6.7	(3,-1,-2,2)
45.61	1.9890	2.4	(3,0,-3,0)
45.78	1.9821	25.3	(2,0,-2,4)
48.91	1.8623	3.4	(3,0,-3,2)
48.91	1.8623	1.7	(0,3,-3,2)
53.17	1.7225	26.4	(4,-2,-2,0)
53.32	1.7180	3.0	(3,-1,-2,4)
53.32	1.7180	6.1	(2,1,-3,4)
54.10	1.6951	3.5	(1,0,-1,6)

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Energy Properties

Formation Energy/atom

0.17002

eV/atom

Energy/atom

-1.42370

eV/atom

Energy above Hull

0.1845

eV/atom

Uncorrected Energy

-1.4237

eV/atom

Volume/atom

27.26

Å³

c/a Ratio

1.5395

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

0.0000

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

11.961%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.1424

smaller = more stable mixing

VEC

1.938

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.4218

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.659

Family

Mg-based Alloy

Matrix Element

Mg · 0.875

Related Tasks

Related computation task IDs (1)

aaacgkso

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1026650

Reference Citation

The crystal structure and related material properties of RbSrMg14 were obtained from the Materials Project database (MP-ID: mp-1026650, 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_RbSrMg14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.88998116
_cell_length_b   6.88998051
_cell_length_c   10.60739446
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000310
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RbSrMg14
_chemical_formula_sum   'Rb1 Sr1 Mg14'
_cell_volume   436.08923440
_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
  Rb  Rb0  1  0.16666700  0.33333300  0.12500000  1.0
  Sr  Sr1  1  0.16666700  0.33333300  0.62500000  1.0
  Mg  Mg2  1  0.17305604  0.83652752  0.12500000  1.0
  Mg  Mg3  1  0.17629691  0.83814796  0.62500000  1.0
  Mg  Mg4  1  0.66347248  0.32694396  0.12500000  1.0
  Mg  Mg5  1  0.66185204  0.32370309  0.62500000  1.0
  Mg  Mg6  1  0.66347248  0.83652752  0.12500000  1.0
  Mg  Mg7  1  0.66185204  0.83814796  0.62500000  1.0
  Mg  Mg8  1  0.34612942  0.15387058  0.37848129  1.0
  Mg  Mg9  1  0.34612942  0.15387058  0.87151871  1.0
  Mg  Mg10  1  0.34612942  0.69225985  0.37848129  1.0
  Mg  Mg11  1  0.34612942  0.69225985  0.87151871  1.0
  Mg  Mg12  1  0.80774015  0.15387058  0.37848129  1.0
  Mg  Mg13  1  0.80774015  0.15387058  0.87151871  1.0
  Mg  Mg14  1  0.83333300  0.66666700  0.37521508  1.0
  Mg  Mg15  1  0.83333300  0.66666700  0.87478492  1.0

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