YSn(WO4)2

High-Entropy Materials HEA

MP-ID: mp-1042152 · Space group: P2/c (#13)

Materials Project API

Basic Information

Formula

YSn(WO4)2

MP-ID

mp-1042152

Elements

Sites

Density

7.3861

g/cm³

Volume

316.23

Å³

Cell a

5.7094

Cell b

5.3604

Cell c

11.1427

α Angle

68.02

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
15.52	5.7094	8.8	(1,0,0)
17.16	5.1663	14.3	(0,0,2)
22.84	3.8942	12.2	(1,1,1)
23.22	3.8308	36.3	(1,0,2)
23.73	3.7490	1.2	(1,1,0)
27.51	3.2429	100.0	(1,1,-1)
29.86	2.9918	81.1	(1,1,3)
31.33	2.8547	13.6	(2,0,0)
32.54	2.7516	1.2	(2,0,1)
33.66	2.6626	27.6	(0,2,2)
34.73	2.5832	20.5	(0,0,4)
35.69	2.5160	26.2	(2,1,1)
36.14	2.4854	4.3	(0,2,0)
38.24	2.3535	1.7	(1,0,4)
39.55	2.2788	5.0	(1,2,0)
40.73	2.2154	10.4	(2,1,3)
42.98	2.1043	7.7	(1,2,4)
43.64	2.0742	1.5	(1,1,5)
46.07	1.9700	18.9	(0,2,-2)
46.65	1.9471	14.1	(2,2,2)
47.47	1.9154	13.9	(2,0,4)
47.79	1.9031	1.4	(3,0,0)
48.91	1.8623	1.8	(1,2,-2)
49.17	1.8531	15.5	(2,1,-3)

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Energy Properties

Formation Energy/atom

-2.43107

eV/atom

Energy/atom

-8.76595

eV/atom

Energy above Hull

0.0887

eV/atom

Uncorrected Energy

-7.5683

eV/atom

Volume/atom

13.18

Å³

c/a Ratio

1.9517

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

2.1388

μB

Mag. Ordering

FiM

Mag. Sites

Magnetization/Volume

0.006760

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

O · 0.667

Element Family

Metalloid-Nonmetal

Solute Fraction

0.333

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9831

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.1734

J/mol·K

Ω Parameter

25.7443

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

49.091%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.7411

smaller = more stable mixing

VEC

4.250

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.268

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7091

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (3)

aaachhtw aaadrxww aaadyzgo

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1042152

Reference Citation

The crystal structure and related material properties of YSn(WO4)2 were obtained from the Materials Project database (MP-ID: mp-1042152, 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_YSn(WO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.70939000
_cell_length_b   5.36039100
_cell_length_c   11.14273638
_cell_angle_alpha   68.01808104
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YSn(WO4)2
_chemical_formula_sum   'Y2 Sn2 W4 O16'
_cell_volume   316.22721487
_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
  Y  Y0  1  0.72852700  0.00000000  0.25000000  1.0
  Y  Y1  1  0.27147300  0.00000000  0.75000000  1.0
  Sn  Sn2  1  0.32196300  0.50000000  0.25000000  1.0
  Sn  Sn3  1  0.67803700  0.50000000  0.75000000  1.0
  W  W4  1  0.17226800  0.24783800  0.00196600  1.0
  W  W5  1  0.17226800  0.75216200  0.49803400  1.0
  W  W6  1  0.82773200  0.75216200  0.99803400  1.0
  W  W7  1  0.82773200  0.24783800  0.50196600  1.0
  O  O8  1  0.39338800  0.74085800  0.36993800  1.0
  O  O9  1  0.39338800  0.25914200  0.13006200  1.0
  O  O10  1  0.60661200  0.25914200  0.63006200  1.0
  O  O11  1  0.60661200  0.74085800  0.86993800  1.0
  O  O12  1  0.92925400  0.11937500  0.88597200  1.0
  O  O13  1  0.92925400  0.88062500  0.61402800  1.0
  O  O14  1  0.07074600  0.88062500  0.11402800  1.0
  O  O15  1  0.07074600  0.11937500  0.38597200  1.0
  O  O16  1  0.60996400  0.24290200  0.36883700  1.0
  O  O17  1  0.60996400  0.75709800  0.13116300  1.0
  O  O18  1  0.39003600  0.75709800  0.63116300  1.0
  O  O19  1  0.39003600  0.24290200  0.86883700  1.0
  O  O20  1  0.90244600  0.63451000  0.39886400  1.0
  O  O21  1  0.09755400  0.36549000  0.60113600  1.0
  O  O22  1  0.90244600  0.36549000  0.10113600  1.0
  O  O23  1  0.09755400  0.63451000  0.89886400  1.0

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