Cr5(Si2O7)2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-802343 · Space group: P-1 (#2)

Materials Project API

Basic Information

Formula

Cr5(Si2O7)2

MP-ID

mp-802343

Elements

Sites

Density

3.3949

g/cm³

Volume

291.67

Å³

Cell a

7.3977

Cell b

7.8819

Cell c

5.6712

α Angle

90.96

β Angle

106.07

γ Angle

112.11

Space Group

P-1

Point Group

-1

Crystal System

Triclinic

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
13.57	6.5261	18.9	(1,0,0)
14.22	6.2269	8.7	(1,-1,0)
16.42	5.3992	58.7	(0,0,1)
17.84	4.9728	1.4	(1,0,-1)
19.13	4.6395	3.7	(0,1,-1)
19.79	4.4857	53.7	(1,-1,-1)
21.66	4.1038	10.0	(1,1,0)
21.84	4.0703	4.6	(0,1,1)
23.43	3.7963	16.5	(1,1,-1)
23.62	3.7665	1.5	(1,-1,1)
24.40	3.6483	7.1	(1,0,1)
24.61	3.6175	14.9	(0,2,0)
25.10	3.5481	7.2	(2,-1,0)
26.13	3.4100	93.7	(2,-1,-1)
27.27	3.2698	2.2	(2,0,-1)
27.33	3.2631	13.5	(2,0,0)
27.81	3.2080	3.0	(1,-2,-1)
28.67	3.1135	27.4	(2,-2,0)
28.80	3.1000	100.0	(1,-2,1)
30.54	2.9276	3.4	(2,-2,-1)
30.71	2.9114	3.6	(1,1,1)
31.58	2.8327	19.5	(0,2,1)
31.76	2.8171	3.9	(1,0,-2)
32.72	2.7371	40.0	(1,2,0)

Get direct link

Energy Properties

Formation Energy/atom

-0.69923

eV/atom

Energy/atom

-6.75305

eV/atom

Energy above Hull

2.0373

eV/atom

Uncorrected Energy

-5.9003

eV/atom

Volume/atom

12.68

Å³

c/a Ratio

0.7666

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

18.0000

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.061710

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

O · 0.609

Element Family

Metalloid-Nonmetal

Solute Fraction

0.391

Interstitial Fraction

0.174

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9381

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.7997

J/mol·K

Ω Parameter

1.0324

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

36.590%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.8201

smaller = more stable mixing

VEC

4.435

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-6.049

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8539

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.381

Family

Interstitial Alloy

Matrix Element

O · 0.609

Related Tasks

Related computation task IDs (2)

aaabtqxj aaabwbrv

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-802343

Reference Citation

The crystal structure and related material properties of Cr5(Si2O7)2 were obtained from the Materials Project database (MP-ID: mp-802343, 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_Cr5(Si2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.39774100
_cell_length_b   7.88187598
_cell_length_c   5.67118508
_cell_angle_alpha   90.95609681
_cell_angle_beta   106.06973141
_cell_angle_gamma   112.10507643
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr5(Si2O7)2
_chemical_formula_sum   'Cr5 Si4 O14'
_cell_volume   291.67352370
_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
  Cr  Cr0  1  0.00000000  0.00000000  0.00000000  1.0
  Cr  Cr1  1  0.81178200  0.07451500  0.38829400  1.0
  Cr  Cr2  1  0.69840700  0.64492200  0.58128800  1.0
  Cr  Cr3  1  0.30159300  0.35507800  0.41871200  1.0
  Cr  Cr4  1  0.18821800  0.92548500  0.61170600  1.0
  Si  Si5  1  0.86449800  0.49739100  0.23341200  1.0
  Si  Si6  1  0.39029500  0.77774700  0.20932200  1.0
  Si  Si7  1  0.60970500  0.22225300  0.79067800  1.0
  Si  Si8  1  0.13550200  0.50260900  0.76658800  1.0
  O  O9  1  0.58160900  0.86141600  0.20665300  1.0
  O  O10  1  0.95668800  0.78451800  0.34933700  1.0
  O  O11  1  0.26105600  0.54760500  0.00794500  1.0
  O  O12  1  0.74875300  0.41394300  0.35636600  1.0
  O  O13  1  0.26202100  0.00921100  0.22301500  1.0
  O  O14  1  0.42850400  0.66036700  0.40510500  1.0
  O  O15  1  0.02847700  0.31533600  0.23498100  1.0
  O  O16  1  0.97152300  0.68466400  0.76501900  1.0
  O  O17  1  0.57149600  0.33963300  0.59489500  1.0
  O  O18  1  0.73797900  0.99078900  0.77698500  1.0
  O  O19  1  0.25124700  0.58605700  0.64363400  1.0
  O  O20  1  0.73894400  0.45239500  0.99205500  1.0
  O  O21  1  0.04331200  0.21548200  0.65066300  1.0
  O  O22  1  0.41839100  0.13858400  0.79334700  1.0

Get direct link