RbMg6W

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1017182 · Space group: P4/mmm (#123)

Materials Project API

Basic Information

Formula

RbMg6W

MP-ID

mp-1017182

Elements

Sites

Density

3.4888

g/cm³

Volume

197.59

Å³

Cell a

6.7406

Cell b

6.7406

Cell c

4.3488

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

P4/mmm

Point Group

4/mmm

Crystal System

Tetragonal

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
13.13	6.7406	41.1	(1,0,0)
18.62	4.7663	63.3	(1,1,0)
20.42	4.3488	24.0	(0,0,1)
24.36	3.6543	5.8	(1,0,1)
26.45	3.3703	29.4	(2,0,0)
27.77	3.2126	42.8	(1,1,1)
29.63	3.0145	4.1	(2,1,0)
33.64	2.6639	100.0	(2,0,1)
36.26	2.4775	13.6	(2,1,1)
37.75	2.3831	34.3	(2,2,0)
41.53	2.1744	14.9	(0,0,2)
42.41	2.1316	12.3	(3,1,0)
43.29	2.0899	17.5	(2,2,1)
43.74	2.0694	4.4	(1,0,2)
45.44	1.9962	7.4	(3,0,1)
45.87	1.9783	12.6	(1,1,2)
47.50	1.9140	25.3	(3,1,1)
48.71	1.8695	5.4	(3,2,0)
49.91	1.8271	10.5	(2,0,2)
51.84	1.7635	1.9	(2,1,2)
54.45	1.6851	10.2	(4,0,0)
56.27	1.6348	1.7	(4,1,0)
57.36	1.6063	20.0	(2,2,2)
58.06	1.5888	4.5	(3,3,0)

Get direct link

Energy Properties

Formation Energy/atom

0.51673

eV/atom

Energy/atom

-2.44845

eV/atom

Energy above Hull

0.5167

eV/atom

Uncorrected Energy

-2.4485

eV/atom

Volume/atom

24.70

Å³

c/a Ratio

0.6452

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0007

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 · 0.750

Element Family

Alkali-AlkEarth

Solute Fraction

0.250

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.7356

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

6.1160

J/mol·K

Ω Parameter

3.3443

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

16.010%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4036

smaller = more stable mixing

VEC

2.375

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-2.182

kJ/mol; negative = exothermic mixing

Entropy Norm

0.6696

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.589

Family

Mg-based Alloy

Matrix Element

Mg · 0.750

Related Tasks

Related computation task IDs (2)

aaacfwvj aaaeajar

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1017182

Reference Citation

The crystal structure and related material properties of RbMg6W were obtained from the Materials Project database (MP-ID: mp-1017182, 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…

Style: Ball & Stick | Drag to rotate · Scroll to zoom · Right-click to pan

Raw CIF Data

# generated using pymatgen
data_RbMg6W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.74054600
_cell_length_b   6.74054600
_cell_length_c   4.34882500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RbMg6W
_chemical_formula_sum   'Rb1 Mg6 W1'
_cell_volume   197.58869157
_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  0.00000000  0.00000000  0.50000000  1.0
  Mg  Mg1  1  0.00000000  0.50000000  0.50000000  1.0
  Mg  Mg2  1  0.50000000  0.00000000  0.50000000  1.0
  Mg  Mg3  1  0.70791600  0.29208400  0.00000000  1.0
  Mg  Mg4  1  0.29208400  0.70791600  0.00000000  1.0
  Mg  Mg5  1  0.70791600  0.70791600  0.00000000  1.0
  Mg  Mg6  1  0.29208400  0.29208400  0.00000000  1.0
  W  W7  1  0.50000000  0.50000000  0.50000000  1.0

Get direct link