RbMg14Co

高熵材料 HEA 传统材料 TRA

MP-ID: mp-1026867 · Space group: P-6m2 (#187)

Materials Project API

Basic Information

Formula

RbMg14Co

MP-ID

mp-1026867

Elements

Sites

Density

2.1287

g/cm³

Volume

378.08

Å³

Cell a

6.3921

Cell b

6.3921

Cell c

10.6848

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
16.01	5.5357	21.4	(1,0,-1,0)
16.59	5.3424	8.0	(0,0,0,2)
23.14	3.8442	16.1	(1,0,-1,2)
25.00	3.5616	2.8	(0,0,0,3)
27.92	3.1961	5.3	(2,-1,-1,0)
29.16	3.0620	1.4	(2,-1,-1,1)
29.83	2.9952	2.4	(1,0,-1,3)
29.83	2.9952	1.2	(0,1,-1,3)
32.34	2.7679	18.1	(2,0,-2,0)
32.34	2.7679	9.0	(0,2,-2,0)
32.65	2.7427	6.4	(2,-1,-1,2)
33.44	2.6794	1.5	(2,0,-2,1)
33.55	2.6712	23.6	(0,0,0,4)
36.56	2.4576	100.0	(2,0,-2,2)
37.38	2.4058	4.4	(1,0,-1,4)
41.31	2.1855	2.0	(2,0,-2,3)
43.24	2.0923	2.6	(3,-1,-2,0)
44.19	2.0496	4.0	(2,-1,-1,4)
46.62	1.9482	6.1	(3,-1,-2,2)
47.29	1.9221	17.3	(2,0,-2,4)
51.30	1.7808	1.4	(0,0,0,6)
51.44	1.7765	1.5	(2,-1,-1,5)
52.46	1.7441	1.1	(3,0,-3,2)
54.10	1.6952	2.2	(1,0,-1,6)

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Energy Properties

Formation Energy/atom

0.25391

eV/atom

Energy/atom

-1.67987

eV/atom

Energy above Hull

0.2545

eV/atom

Uncorrected Energy

-1.6799

eV/atom

Volume/atom

23.63

Å³

c/a Ratio

1.6716

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0539

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000140

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Mg · 0.875

Element Family

Alkali-AlkEarth

Solute Fraction

0.125

Interstitial Fraction

0.000

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

0.5525

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

12.640%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.1879

smaller = more stable mixing

VEC

2.375

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-6.539

kJ/mol; negative = exothermic mixing

Entropy Norm

0.4218

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaacglax

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1026867

Reference Citation

The crystal structure and related material properties of RbMg14Co were obtained from the Materials Project database (MP-ID: mp-1026867, 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_RbMg14Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.39210438
_cell_length_b   6.39210386
_cell_length_c   10.68481086
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000267
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RbMg14Co
_chemical_formula_sum   'Rb1 Mg14 Co1'
_cell_volume   378.08124991
_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  0.62500000  1.0
  Mg  Mg1  1  0.15549822  0.82774861  0.12500000  1.0
  Mg  Mg2  1  0.17320109  0.83660005  0.62500000  1.0
  Mg  Mg3  1  0.67225139  0.34450178  0.12500000  1.0
  Mg  Mg4  1  0.66339995  0.32679891  0.62500000  1.0
  Mg  Mg5  1  0.67225139  0.82774861  0.12500000  1.0
  Mg  Mg6  1  0.66339995  0.83660005  0.62500000  1.0
  Mg  Mg7  1  0.32938592  0.17061408  0.34112420  1.0
  Mg  Mg8  1  0.32938592  0.17061408  0.90887580  1.0
  Mg  Mg9  1  0.32938592  0.65877284  0.34112420  1.0
  Mg  Mg10  1  0.32938592  0.65877284  0.90887580  1.0
  Mg  Mg11  1  0.84122716  0.17061408  0.34112420  1.0
  Mg  Mg12  1  0.84122716  0.17061408  0.90887580  1.0
  Mg  Mg13  1  0.83333300  0.66666700  0.38527678  1.0
  Mg  Mg14  1  0.83333300  0.66666700  0.86472322  1.0
  Co  Co15  1  0.16666700  0.33333300  0.12500000  1.0

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