Rb2Cr2O5

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1076401 · Space group: Ima2 (#46)

Materials Project API

Basic Information

Formula

Rb2Cr2O5

MP-ID

mp-1076401

Elements

Sites

Density

3.8015

g/cm³

Volume

310.07

Å³

Cell a

10.8335

Cell b

10.8335

Cell c

10.8335

α Angle

150.78

β Angle

149.94

γ Angle

42.41

Space Group

Ima2

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
8.76	10.0999	4.9	(1,1,-1)
16.38	5.4128	2.6	(0,1,-1)
20.59	4.3138	2.4	(1,2,-2)
22.70	3.9172	3.0	(1,-1,0)
24.37	3.6521	4.4	(2,0,-1)
27.19	3.2800	2.2	(2,3,-3)
28.85	3.0952	100.0	(3,1,-2)
31.86	2.8091	18.7	(1,-1,1)
32.78	2.7323	21.1	(1,-1,-1)
34.96	2.5669	1.0	(3,4,-4)
35.15	2.5532	17.3	(4,2,-3)
35.55	2.5250	14.8	(4,4,-4)
36.61	2.4549	6.0	(1,3,-3)
37.42	2.4031	4.2	(3,1,-3)
41.88	2.1569	1.6	(2,4,-4)
42.55	2.1249	1.3	(1,4,-3)
42.60	2.1223	2.0	(5,3,-4)
42.62	2.1215	2.1	(4,2,-4)
44.87	2.0200	2.9	(5,5,-5)
46.36	1.9586	20.2	(2,-2,0)
47.27	1.9228	2.1	(3,-1,-1)
48.18	1.8888	1.1	(2,5,-4)
48.48	1.8779	4.5	(3,5,-5)
49.13	1.8544	5.0	(5,3,-5)

Get direct link

Energy Properties

Formation Energy/atom

-1.83867

eV/atom

Energy/atom

-6.95056

eV/atom

Energy above Hull

0.2608

eV/atom

Uncorrected Energy

-6.1247

eV/atom

Volume/atom

17.23

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

3.8503

μB

Mag. Ordering

FiM

Mag. Sites

Magnetization/Volume

0.012420

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

O · 0.556

Element Family

Metalloid-Nonmetal

Solute Fraction

0.444

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9950

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.2727

J/mol·K

Ω Parameter

0.0000

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

61.511%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

1.1285

smaller = more stable mixing

VEC

3.778

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9057

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.330

Family

O-rich Multi-Component

Matrix Element

O · 0.556

Related Tasks

Related computation task IDs (2)

aaacjgit aaadytzv

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1076401

Reference Citation

The crystal structure and related material properties of Rb2Cr2O5 were obtained from the Materials Project database (MP-ID: mp-1076401, 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_Rb2Cr2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.83344858
_cell_length_b   10.83344858
_cell_length_c   10.83344858
_cell_angle_alpha   150.78393654
_cell_angle_beta   149.94296290
_cell_angle_gamma   42.41213594
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Rb2Cr2O5
_chemical_formula_sum   'Rb4 Cr4 O10'
_cell_volume   310.07373540
_cell_formula_units_Z   2
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  0.88989500  0.39279400  0.50272800  1.0
  Rb  Rb1  1  0.11010500  0.61283400  0.50290000  1.0
  Rb  Rb2  1  0.39006600  0.89279400  0.50290000  1.0
  Rb  Rb3  1  0.60993400  0.11283400  0.50272800  1.0
  Cr  Cr4  1  0.00000000  0.00001600  0.00001600  1.0
  Cr  Cr5  1  0.50000000  0.50001600  0.00001600  1.0
  Cr  Cr6  1  0.67727400  0.71848300  0.89575700  1.0
  Cr  Cr7  1  0.32272600  0.21848300  0.04120900  1.0
  O  O8  1  0.25155800  0.25195600  0.50016500  1.0
  O  O9  1  0.74844200  0.24860700  0.00039800  1.0
  O  O10  1  0.25179100  0.75195600  0.00039800  1.0
  O  O11  1  0.74820900  0.74860700  0.50016500  1.0
  O  O12  1  0.87823800  0.84472200  0.07732900  1.0
  O  O13  1  0.12176200  0.19909000  0.96648400  1.0
  O  O14  1  0.26739300  0.34472200  0.96648400  1.0
  O  O15  1  0.73260700  0.69909000  0.07732900  1.0
  O  O16  1  0.59604000  0.39549700  0.49153700  1.0
  O  O17  1  0.40396000  0.89549700  0.79945800  1.0

Get direct link