Cr(WO4)2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1041693 · Space group: P2/c (#13)

Materials Project API

Basic Information

Formula

Cr(WO4)2

MP-ID

mp-1041693

Elements

Sites

Density

6.7622

g/cm³

Volume

268.98

Å³

Cell a

5.7770

Cell b

5.0297

Cell c

10.4932

α Angle

61.91

β Angle

90.00

γ Angle

90.00

Space Group

P2/c

Point Group

2/m

Crystal System

Monoclinic

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
15.34	5.7770	36.3	(1,0,0)
18.10	4.9009	3.9	(1,0,1)
19.18	4.6284	100.0	(0,0,2)
20.01	4.4371	10.4	(0,1,0)
20.17	4.4018	3.1	(0,1,2)
23.45	3.7933	99.1	(1,1,1)
24.65	3.6121	52.3	(1,0,2)
25.44	3.5012	2.0	(1,1,2)
30.36	2.9443	83.7	(1,1,-1)
30.58	2.9236	83.7	(1,1,3)
30.96	2.8885	13.1	(2,0,0)
32.47	2.7574	2.6	(2,0,1)
32.91	2.7217	4.3	(1,0,3)
35.70	2.5148	27.5	(0,2,2)
35.85	2.5048	36.0	(2,1,1)
36.67	2.4505	12.0	(2,0,2)
37.44	2.4022	1.2	(1,1,-2)
38.92	2.3142	14.0	(0,0,4)
39.07	2.3058	4.9	(1,2,2)
40.67	2.2186	24.8	(0,2,0)
40.88	2.2073	6.5	(2,1,-1)
41.01	2.2009	6.0	(0,2,4)
41.05	2.1985	36.2	(2,1,3)
42.06	2.1483	5.2	(1,0,4)

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Energy Properties

Formation Energy/atom

-1.99796

eV/atom

Energy/atom

-8.83005

eV/atom

Energy above Hull

0.1539

eV/atom

Uncorrected Energy

-7.3418

eV/atom

Volume/atom

12.23

Å³

c/a Ratio

1.8164

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

3.9997

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.014870

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

O · 0.727

Element Family

Metalloid-Nonmetal

Solute Fraction

0.273

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.7595

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

6.3149

J/mol·K

Ω Parameter

0.0000

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

41.790%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.6098

smaller = more stable mixing

VEC

4.545

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.6914

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.561

Family

O-rich Multi-Component

Matrix Element

O · 0.727

Related Tasks

Related computation task IDs (2)

aaachhaa aaaegcft

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1041693

Reference Citation

The crystal structure and related material properties of Cr(WO4)2 were obtained from the Materials Project database (MP-ID: mp-1041693, 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_Cr(WO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.77702300
_cell_length_b   5.02972700
_cell_length_c   10.49322067
_cell_angle_alpha   61.90608826
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr(WO4)2
_chemical_formula_sum   'Cr2 W4 O16'
_cell_volume   268.97567315
_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
  Cr  Cr0  1  0.34705300  0.50000000  0.75000000  1.0
  Cr  Cr1  1  0.65294700  0.50000000  0.25000000  1.0
  W  W2  1  0.17079000  0.26615800  0.49231900  1.0
  W  W3  1  0.17079000  0.73384200  0.00768100  1.0
  W  W4  1  0.82921000  0.73384200  0.50768100  1.0
  W  W5  1  0.82921000  0.26615800  0.99231900  1.0
  O  O6  1  0.34053600  0.70966400  0.86164900  1.0
  O  O7  1  0.34053600  0.29033600  0.63835100  1.0
  O  O8  1  0.65946400  0.29033600  0.13835100  1.0
  O  O9  1  0.65946400  0.70966400  0.36164900  1.0
  O  O10  1  0.88973800  0.18947600  0.39095900  1.0
  O  O11  1  0.88973800  0.81052400  0.10904100  1.0
  O  O12  1  0.11026200  0.81052400  0.60904100  1.0
  O  O13  1  0.11026200  0.18947600  0.89095900  1.0
  O  O14  1  0.59314200  0.25348600  0.87915000  1.0
  O  O15  1  0.59314200  0.74651400  0.62085000  1.0
  O  O16  1  0.40685800  0.74651400  0.12085000  1.0
  O  O17  1  0.40685800  0.25348600  0.37915000  1.0
  O  O18  1  0.89061200  0.67699000  0.88812900  1.0
  O  O19  1  0.10938800  0.32301000  0.11187100  1.0
  O  O20  1  0.89061200  0.32301000  0.61187100  1.0
  O  O21  1  0.10938800  0.67699000  0.38812900  1.0

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