Cr12Fe7O48

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-773201 · Space group: P1 (#1)

Materials Project API

Basic Information

Formula

Cr12Fe7O48

MP-ID

mp-773201

Elements

Sites

Density

3.3184

g/cm³

Volume

892.14

Å³

Cell a

4.9770

Cell b

10.3822

Cell c

17.2656

α Angle

89.90

β Angle

90.16

γ Angle

89.92

Space Group

Point Group

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
5.12	17.2655	14.5	(0,0,1)
8.52	10.3822	8.3	(0,1,0)
9.93	8.9045	12.0	(0,1,1)
9.95	8.8904	52.9	(0,1,-1)
10.25	8.6328	60.5	(0,0,2)
13.33	6.6437	8.2	(0,1,2)
15.40	5.7552	2.7	(0,0,3)
17.08	5.1911	53.6	(0,2,0)
17.63	5.0297	2.7	(0,1,-3)
17.82	4.9770	11.1	(1,0,0)
17.83	4.9737	10.6	(0,2,1)
17.85	4.9688	9.6	(0,2,-1)
18.54	4.7858	1.7	(1,0,-1)
18.57	4.7787	4.8	(1,0,1)
19.77	4.4904	14.8	(1,1,0)
19.79	4.4855	13.7	(1,-1,0)
19.97	4.4452	1.7	(0,2,-2)
20.43	4.3476	17.0	(1,1,-1)
20.44	4.3448	20.1	(1,-1,-1)
20.44	4.3440	1.4	(1,1,1)
20.47	4.3379	1.6	(1,-1,1)
20.57	4.3169	2.1	(1,0,-2)
20.58	4.3164	4.1	(0,0,4)
20.62	4.3066	28.9	(1,0,2)

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Energy Properties

Formation Energy/atom

-1.47493

eV/atom

Energy/atom

-7.63357

eV/atom

Energy above Hull

0.1194

eV/atom

Uncorrected Energy

-6.5477

eV/atom

Volume/atom

13.32

Å³

c/a Ratio

3.4691

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

32.0007

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.035870

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

O · 0.716

Element Family

Metalloid-Nonmetal

Solute Fraction

0.284

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.7829

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

6.5093

J/mol·K

Ω Parameter

53.8239

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

38.346%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.7753

smaller = more stable mixing

VEC

4.776

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-0.075

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7127

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.551

Family

O-rich Multi-Component

Matrix Element

O · 0.716

Related Tasks

Related computation task IDs (1)

aaaedxtm

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-773201

Reference Citation

The crystal structure and related material properties of Cr12Fe7O48 were obtained from the Materials Project database (MP-ID: mp-773201, 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…

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Raw CIF Data

# generated using pymatgen
data_Cr12Fe7O48
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.97697193
_cell_length_b   10.38222797
_cell_length_c   17.26563016
_cell_angle_alpha   89.89751750
_cell_angle_beta   90.15856741
_cell_angle_gamma   89.92003281
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr12Fe7O48
_chemical_formula_sum   'Cr12 Fe7 O48'
_cell_volume   892.14491070
_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  0.22218200  0.75085600  0.94739200  1.0
  Cr  Cr1  1  0.20231500  0.01616700  0.65540400  1.0
  Cr  Cr2  1  0.20266300  0.47660200  0.65054300  1.0
  Cr  Cr3  1  0.27153200  0.52522100  0.15109600  1.0
  Cr  Cr4  1  0.27740700  0.97402800  0.15558700  1.0
  Cr  Cr5  1  0.27161800  0.25307000  0.44690800  1.0
  Cr  Cr6  1  0.72805000  0.75275300  0.55256000  1.0
  Cr  Cr7  1  0.72507000  0.02310000  0.84458800  1.0
  Cr  Cr8  1  0.73275300  0.48520500  0.84441400  1.0
  Cr  Cr9  1  0.79062500  0.52411900  0.34507100  1.0
  Cr  Cr10  1  0.79223900  0.97582700  0.34946500  1.0
  Cr  Cr11  1  0.78092800  0.24399300  0.05588700  1.0
  Fe  Fe12  1  0.09526000  0.25496400  0.25707100  1.0
  Fe  Fe13  1  0.24720200  0.08379300  0.96800400  1.0
  Fe  Fe14  1  0.25688300  0.93782700  0.47743700  1.0
  Fe  Fe15  1  0.73960900  0.43739500  0.52097700  1.0
  Fe  Fe16  1  0.73760000  0.55694000  0.02571600  1.0
  Fe  Fe17  1  0.75207200  0.91468400  0.03243700  1.0
  Fe  Fe18  1  0.90114700  0.74652900  0.74107500  1.0
  O  O19  1  0.05043300  0.23446000  0.99581300  1.0
  O  O20  1  0.04868500  0.60626200  0.37001200  1.0
  O  O21  1  0.07822700  0.89758000  0.38775900  1.0
  O  O22  1  0.12920800  0.62606200  0.20641900  1.0
  O  O23  1  0.10792600  0.88028400  0.20922800  1.0
  O  O24  1  0.11395300  0.11533300  0.46820300  1.0
  O  O25  1  0.05580400  0.37093400  0.46561000  1.0
  O  O26  1  0.08278800  0.00012900  0.07199700  1.0
  O  O27  1  0.05928100  0.50258700  0.07508400  1.0
  O  O28  1  0.14081700  0.74840300  0.85609600  1.0
  O  O29  1  0.11752100  0.61678000  0.69898400  1.0
  O  O30  1  0.11485200  0.87445600  0.70574700  1.0
  O  O31  1  0.32328100  0.11276200  0.20095700  1.0
  O  O32  1  0.31354700  0.38427700  0.19752800  1.0
  O  O33  1  0.33359700  0.25414700  0.35173000  1.0
  O  O34  1  0.38996000  0.98358900  0.57136500  1.0
  O  O35  1  0.41826000  0.50612600  0.57880400  1.0
  O  O36  1  0.40842200  0.88642100  0.96862300  1.0
  O  O37  1  0.42882300  0.63017900  0.96922500  1.0
  O  O38  1  0.40480200  0.09841000  0.70781600  1.0
  O  O39  1  0.35099800  0.37865100  0.70708400  1.0
  O  O40  1  0.43574000  0.09859900  0.87535900  1.0
  O  O41  1  0.45141200  0.41741400  0.86238400  1.0
  O  O42  1  0.45355100  0.77170200  0.49629000  1.0
  O  O43  1  0.54757900  0.27285100  0.50371700  1.0
  O  O44  1  0.56952900  0.59564000  0.11603000  1.0
  O  O45  1  0.56490300  0.89655900  0.12444700  1.0
  O  O46  1  0.59322900  0.60999400  0.29269600  1.0
  O  O47  1  0.64405200  0.87982900  0.29153900  1.0
  O  O48  1  0.57712800  0.11369400  0.03396100  1.0
  O  O49  1  0.60364200  0.37423300  0.03457000  1.0
  O  O50  1  0.57587200  0.00481300  0.42207100  1.0
  O  O51  1  0.60252900  0.48850500  0.42994300  1.0
  O  O52  1  0.66095000  0.75503300  0.64771600  1.0
  O  O53  1  0.69156000  0.62867300  0.79053000  1.0
  O  O54  1  0.68910100  0.88122200  0.79926000  1.0
  O  O55  1  0.87890600  0.11190200  0.30241500  1.0
  O  O56  1  0.87589000  0.38537300  0.29632900  1.0
  O  O57  1  0.87217900  0.24255400  0.14717900  1.0
  O  O58  1  0.89254600  0.52060700  0.93301700  1.0
  O  O59  1  0.91063900  0.99398600  0.92939100  1.0
  O  O60  1  0.88518300  0.61415900  0.53301000  1.0
  O  O61  1  0.94437800  0.87084800  0.53413200  1.0
  O  O62  1  0.90476700  0.11830100  0.79478800  1.0
  O  O63  1  0.92301000  0.38730300  0.79891000  1.0
  O  O64  1  0.94851200  0.10169000  0.63115200  1.0
  O  O65  1  0.92110900  0.39873000  0.61241900  1.0
  O  O66  1  0.93857700  0.75349600  0.00757500  1.0

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