Sr2YV2GaO7

High-Entropy Materials HEA

MP-ID: mp-1046616 · Space group: C2 (#5)

Materials Project API

Basic Information

Formula

Sr2YV2GaO7

MP-ID

mp-1046616

Elements

Sites

Density

5.0074

g/cm³

Volume

363.28

Å³

Cell a

12.1217

Cell b

12.1217

Cell c

5.6898

α Angle

76.48

β Angle

76.48

γ Angle

26.59

Space Group

Point Group

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
7.72	11.4511	11.4	(1,1,0)
19.45	4.5640	3.4	(1,1,-1)
19.47	4.5602	2.9	(2,2,1)
22.32	3.9824	10.9	(1,0,1)
23.30	3.8170	1.5	(3,3,0)
23.65	3.7621	2.8	(1,0,-1)
23.66	3.7607	3.7	(2,1,1)
24.95	3.5695	3.7	(2,2,-1)
24.97	3.5664	4.1	(3,3,1)
27.27	3.2703	6.2	(2,1,-1)
27.29	3.2684	7.2	(3,2,1)
31.45	2.8449	57.6	(1,1,2)
31.53	2.8374	1.8	(3,3,-1)
31.56	2.8352	2.1	(4,4,1)
32.11	2.7879	63.2	(1,-1,0)
32.48	2.7565	99.9	(3,2,-1)
32.50	2.7548	100.0	(4,3,1)
33.07	2.7087	1.3	(2,0,0)
35.64	2.5190	3.0	(1,0,2)
35.65	2.5185	2.8	(2,1,2)
37.38	2.4056	1.1	(1,0,-2)
38.73	2.3252	13.9	(4,3,-1)
38.75	2.3238	14.6	(5,4,1)
39.34	2.2902	11.9	(5,5,0)

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Energy Properties

Formation Energy/atom

-2.71389

eV/atom

Energy/atom

-7.76970

eV/atom

Energy above Hull

0.1670

eV/atom

Uncorrected Energy

-7.1382

eV/atom

Volume/atom

13.97

Å³

c/a Ratio

0.4694

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

9.5375

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.026250

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

O · 0.538

Element Family

Metalloid-Nonmetal

Solute Fraction

0.462

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.3039

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

10.8404

J/mol·K

Ω Parameter

8.7773

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

51.604%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

1.0603

smaller = more stable mixing

VEC

3.692

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-0.850

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8101

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (2)

aaachoid aaaeamkm

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1046616

Reference Citation

The crystal structure and related material properties of Sr2YV2GaO7 were obtained from the Materials Project database (MP-ID: mp-1046616, 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_Sr2YV2GaO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.12171438
_cell_length_b   12.12171438
_cell_length_c   5.68982631
_cell_angle_alpha   76.47526258
_cell_angle_beta   76.47526258
_cell_angle_gamma   26.59278057
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2YV2GaO7
_chemical_formula_sum   'Sr4 Y2 V4 Ga2 O14'
_cell_volume   363.28367148
_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  0.83647800  0.85551300  0.63385700  1.0
  Sr  Sr1  1  0.14448700  0.16352200  0.36614300  1.0
  Sr  Sr2  1  0.33871900  0.35344800  0.17851400  1.0
  Sr  Sr3  1  0.64655200  0.66128100  0.82148600  1.0
  Y  Y4  1  0.50109500  0.49890500  0.00000000  1.0
  Y  Y5  1  0.00224400  0.99775600  0.50000000  1.0
  V  V6  1  0.56949900  0.56862300  0.43284200  1.0
  V  V7  1  0.92975900  0.92954100  0.07201600  1.0
  V  V8  1  0.07045900  0.07024100  0.92798400  1.0
  V  V9  1  0.43137700  0.43050100  0.56715800  1.0
  Ga  Ga10  1  0.71154400  0.78902100  0.18236800  1.0
  Ga  Ga11  1  0.21097900  0.28845600  0.81763200  1.0
  O  O12  1  0.67644300  0.19051900  0.31118200  1.0
  O  O13  1  0.36823100  0.13093700  0.12639500  1.0
  O  O14  1  0.17564500  0.69080400  0.32662000  1.0
  O  O15  1  0.19359800  0.15334500  0.78707200  1.0
  O  O16  1  0.82631900  0.31315000  0.18944500  1.0
  O  O17  1  0.32615300  0.81331200  0.17679700  1.0
  O  O18  1  0.86906300  0.63176900  0.87360500  1.0
  O  O19  1  0.30919600  0.82435500  0.67338000  1.0
  O  O20  1  0.80948100  0.32355700  0.68881800  1.0
  O  O21  1  0.70255000  0.65011900  0.37704200  1.0
  O  O22  1  0.84665500  0.80640200  0.21292800  1.0
  O  O23  1  0.34988100  0.29745000  0.62295800  1.0
  O  O24  1  0.68685000  0.17368100  0.81055500  1.0
  O  O25  1  0.18668800  0.67384700  0.82320300  1.0

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