SrU2Cr2O22

High-Entropy Materials HEA

MP-ID: mp-1179407 · Space group: P-1 (#2)

Materials Project API

Basic Information

Formula

SrU2Cr2O22

MP-ID

mp-1179407

Elements

Sites

Density

3.5652

g/cm³

Volume

949.84

Å³

Cell a

9.0789

Cell b

10.0051

Cell c

11.2112

α Angle

108.93

β Angle

96.78

γ Angle

94.19

Space Group

P-1

Point Group

-1

Crystal System

Triclinic

Bravais Lattice

Triclinic P

Stability

Packing Fraction

0.5240

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å

Diffraction Peaks (Top 24)

2θ	d (Å)	I	hkl
9.41	9.3975	1.8	(0,1,0)
9.88	8.9518	1.2	(1,0,0)
12.00	7.3774	100.0	(1,0,-1)
12.82	6.9033	14.9	(1,-1,0)
13.94	6.3528	59.5	(1,0,1)
14.20	6.2390	1.2	(1,1,-1)
14.45	6.1290	18.3	(1,1,0)
14.62	6.0585	29.5	(0,1,1)
16.27	5.4471	1.1	(1,-1,-1)
16.91	5.2424	25.8	(0,0,2)
18.28	4.8529	2.6	(1,0,-2)
18.98	4.6756	1.6	(1,1,1)
19.84	4.4759	13.0	(2,0,0)
20.01	4.4374	26.2	(1,-2,1)
20.71	4.2882	5.8	(0,2,-2)
22.02	4.0370	3.5	(0,1,2)
22.27	3.9922	28.7	(2,1,-1)
22.54	3.9442	4.4	(2,-1,1)
22.60	3.9340	14.8	(1,-1,-2)
22.69	3.9187	4.1	(2,-1,-1)
23.13	3.8453	1.6	(1,-2,2)
24.13	3.6887	28.9	(2,0,-2)
24.67	3.6083	1.5	(2,1,-2)
25.49	3.4949	2.0	(0,0,3)

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Energy Properties

Formation Energy/atom

-1.31908

eV/atom

Energy/atom

-6.96488

eV/atom

Energy above Hull

0.5265

eV/atom

Uncorrected Energy

-6.8168

eV/atom

Volume/atom

17.59

Å³

c/a Ratio

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

6.0269

μB

Mag. Ordering

FiM

Mag. Sites

Magnetization/Volume

0.006350

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

O · 0.815

Element Family

Metalloid-Nonmetal

Solute Fraction

0.185

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.6745

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

5.6080

J/mol·K

Ω Parameter

0.0000

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

52.315%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.7980

smaller = more stable mixing

VEC

4.080

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.4866

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

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Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1179407

Reference Citation

The crystal structure and related material properties of SrU2Cr2O22 were obtained from the Materials Project database (MP-ID: mp-1179407, 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

BibTeX

@article{Horton2025,
  author  = {Horton, Matthew K. and Huck, Patrick and Yang, Ruo Xi and Munro, Jason M. and Dwaraknath, Shyam and Ganose, Alex M. and Kingsbury, Ryan S. and Wen, Mingjian and Shen, Jimmy X. and Mathis, Tyler S. and Kaplan, Aaron D. and Berket, Karlo and Riebesell, Janosh and George, Janine and Rosen, Andrew S. and Spotte-Smith, Evan W. C. and McDermott, Matthew J. and Cohen, Orion A. and Dunn, Alex and Kuner, Matthew C. and Rignanese, Gian-Marco and Petretto, Guido and Waroquiers, David and Griffin, Sinead M. and Neaton, Jeffrey B. and Chrzan, Daryl C. and Asta, Mark and Hautier, Geoffroy and Cholia, Shreyas and Ceder, Gerbrand and Ong, Shyue Ping and Jain, Anubhav and Persson, Kristin A.},
  title   = {Accelerated data-driven materials science with the Materials Project},
  journal = {Nature Materials},
  year    = {2025},
  volume  = {24},
  number  = {10},
  pages   = {1522--1532},
  month   = {oct},
  doi     = {10.1038/s41563-025-02272-0},
  issn    = {1476-4660},
  url     = {https://doi.org/10.1038/s41563-025-02272-0},
  abstract = {The Materials Project was launched formally in 2011 to drive materials discovery forwards through high-throughput computation and open data. More than a decade later, the Materials Project has become an indispensable tool used by more than 600,000 materials researchers around the world. This Perspective describes how the Materials Project, as a data platform and a software ecosystem, has helped to shape research in data-driven materials science. We cover how sustainable software and computational methods have accelerated materials design while becoming more open source and collaborative in nature. Next, we present cases where the Materials Project was used to understand and discover functional materials. We then describe our efforts to meet the needs of an expanding user base, through technical infrastructure updates ranging from data architecture and cloud resources to interactive web applications. Finally, we discuss opportunities to better aid the research community, with the vision that more accessible and easy-to-understand materials data will result in democratized materials knowledge and an increasingly collaborative community.}
}

3D Crystal Structure Rendering

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Raw CIF Data

# generated using pymatgen
data_SrU2Cr2O22
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.07887100
_cell_length_b   10.00512472
_cell_length_c   11.21123950
_cell_angle_alpha   108.92529932
_cell_angle_beta   96.78132146
_cell_angle_gamma   94.18917458
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrU2Cr2O22
_chemical_formula_sum   'Sr2 U4 Cr4 O44'
_cell_volume   949.84053045
_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
  Sr  Sr0  1  0.74927900  0.36457800  0.32949400  1.0
  Sr  Sr1  1  0.25072100  0.63542200  0.67050600  1.0
  U  U2  1  0.95588400  0.64425800  0.95495300  1.0
  U  U3  1  0.04411600  0.35574200  0.04504700  1.0
  U  U4  1  0.52367200  0.85628100  0.55242400  1.0
  U  U5  1  0.47632800  0.14371900  0.44757600  1.0
  Cr  Cr6  1  0.64845500  0.53335600  0.65339000  1.0
  Cr  Cr7  1  0.35154500  0.46664400  0.34661000  1.0
  Cr  Cr8  1  0.76649700  0.99271100  0.90908600  1.0
  Cr  Cr9  1  0.23350300  0.00728900  0.09091400  1.0
  O  O10  1  0.06858700  0.61463100  0.81977500  1.0
  O  O11  1  0.93141300  0.38536900  0.18022500  1.0
  O  O12  1  0.84814700  0.70989100  0.08478800  1.0
  O  O13  1  0.15185300  0.29010900  0.91521200  1.0
  O  O14  1  0.33192800  0.83663100  0.59448500  1.0
  O  O15  1  0.66807200  0.16336900  0.40551500  1.0
  O  O16  1  0.71765200  0.84551600  0.52701100  1.0
  O  O17  1  0.28234800  0.15448400  0.47298900  1.0
  O  O18  1  0.88605800  0.42818000  0.93052700  1.0
  O  O19  1  0.11394200  0.57182000  0.06947300  1.0
  O  O20  1  0.45959000  0.91699000  0.38959600  1.0
  O  O21  1  0.54041000  0.08301000  0.61040400  1.0
  O  O22  1  0.87349400  0.87025900  0.91380600  1.0
  O  O23  1  0.12650600  0.12974100  0.08619400  1.0
  O  O24  1  0.63184800  0.93826200  0.78770600  1.0
  O  O25  1  0.36815200  0.06173800  0.21229400  1.0
  O  O26  1  0.68932500  0.03766500  0.06763300  1.0
  O  O27  1  0.31067500  0.96233500  0.93236700  1.0
  O  O28  1  0.86342400  0.14103900  0.91983600  1.0
  O  O29  1  0.13657600  0.85896100  0.08016400  1.0
  O  O30  1  0.73599700  0.58826500  0.80245100  1.0
  O  O31  1  0.26400300  0.41173500  0.19754900  1.0
  O  O32  1  0.55627000  0.37256500  0.61750000  1.0
  O  O33  1  0.44373000  0.62743500  0.38250000  1.0
  O  O34  1  0.52199900  0.64662000  0.64062900  1.0
  O  O35  1  0.47800100  0.35338000  0.35937100  1.0
  O  O36  1  0.76970500  0.52638400  0.55331900  1.0
  O  O37  1  0.23029500  0.47361600  0.44668100  1.0
  O  O38  1  0.63788100  0.16146800  0.10048700  1.0
  O  O39  1  0.36211900  0.83853200  0.89951300  1.0
  O  O40  1  0.64201500  0.62438000  0.22608700  1.0
  O  O41  1  0.35798500  0.37562000  0.77391300  1.0
  O  O42  1  0.41968000  0.29044100  0.82452900  1.0
  O  O43  1  0.58032000  0.70955900  0.17547100  1.0
  O  O44  1  0.52727900  0.34315400  0.91622200  1.0
  O  O45  1  0.47272100  0.65684600  0.08377800  1.0
  O  O46  1  0.07692400  0.00642400  0.62747200  1.0
  O  O47  1  0.92307600  0.99357600  0.37252800  1.0
  O  O48  1  0.92836600  0.25903800  0.65237500  1.0
  O  O49  1  0.07163400  0.74096200  0.34762500  1.0
  O  O50  1  0.99751700  0.31879000  0.59182300  1.0
  O  O51  1  0.00248300  0.68121000  0.40817700  1.0
  O  O52  1  0.95866400  0.09236500  0.33457000  1.0
  O  O53  1  0.04133600  0.90763500  0.66543000  1.0

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