DyEr15(MgSn4)4

High-Entropy Materials HEA

MP-ID: mp-3296862 · Space group: P1 (#1)

Materials Project API

Basic Information

Formula

DyEr15(MgSn4)4

MP-ID

mp-3296862

Elements

Sites

Density

8.2712

g/cm³

Volume

937.14

Å³

Cell a

7.5958

Cell b

8.0462

Cell c

15.3336

α Angle

90.00

β Angle

89.99

γ Angle

90.04

Space Group

Point Group

Crystal System

Triclinic

Bravais Lattice

Stability

Yes

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
11.54	7.6668	16.1	(0,0,2)
12.42	7.1249	2.4	(0,1,-1)
12.42	7.1248	2.3	(0,1,1)
17.06	5.1984	16.8	(1,-1,1)
17.06	5.1981	17.1	(1,-1,-1)
17.07	5.1950	17.1	(1,1,1)
17.07	5.1947	17.5	(1,1,-1)
19.80	4.4829	6.8	(1,-1,2)
19.81	4.4824	6.4	(1,-1,-2)
19.81	4.4806	6.5	(1,1,2)
19.82	4.4802	6.8	(1,1,-2)
22.10	4.0231	20.1	(0,2,0)
23.20	3.8334	12.9	(0,0,4)
23.42	3.7979	1.3	(2,0,0)
23.71	3.7523	7.9	(1,-1,3)
23.71	3.7519	7.8	(1,-1,-3)
23.72	3.7510	7.7	(1,1,3)
23.72	3.7506	7.6	(1,1,-3)
24.14	3.6866	21.9	(2,0,1)
24.14	3.6864	21.5	(2,0,-1)
25.00	3.5624	4.2	(0,2,-2)
25.00	3.5624	4.4	(0,2,2)
25.71	3.4644	5.7	(1,-2,1)
25.72	3.4643	5.6	(1,-2,-1)

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Energy Properties

Formation Energy/atom

-0.73997

eV/atom

Energy/atom

-27.22551

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-27.2255

eV/atom

Volume/atom

26.03

Å³

c/a Ratio

2.0187

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.1073

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000110

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Sn · 0.444

Element Family

PostTransition-Noble

Solute Fraction

0.556

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0689

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.8866

J/mol·K

Ω Parameter

3.1620

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

6.979%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3520

smaller = more stable mixing

VEC

7.278

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-3.160

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7710

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfpak

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3296862

Reference Citation

The crystal structure and related material properties of DyEr15(MgSn4)4 were obtained from the Materials Project database (MP-ID: mp-3296862, 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_DyEr15(MgSn4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.59576455
_cell_length_b   8.04623163
_cell_length_c   15.33355149
_cell_angle_alpha   90.00050552
_cell_angle_beta   89.99156424
_cell_angle_gamma   90.04260843
_symmetry_Int_Tables_number   1
_chemical_formula_structural   DyEr15(MgSn4)4
_chemical_formula_sum   'Dy1 Er15 Mg4 Sn16'
_cell_volume   937.14470543
_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
  Dy  Dy0  1  0.99711695  0.18190905  0.09255732  1.0
  Er  Er1  1  0.00311958  0.81769247  0.90742879  1.0
  Er  Er2  1  0.50337112  0.68140911  0.90708097  1.0
  Er  Er3  1  0.00308280  0.81781311  0.59225872  1.0
  Er  Er4  1  0.49695456  0.31863304  0.09251221  1.0
  Er  Er5  1  0.99670121  0.18219871  0.40767685  1.0
  Er  Er6  1  0.49684755  0.31846040  0.40786492  1.0
  Er  Er7  1  0.50325136  0.68177701  0.59251520  1.0
  Er  Er8  1  0.34513930  0.17118328  0.62749605  1.0
  Er  Er9  1  0.65459977  0.82870497  0.37285643  1.0
  Er  Er10  1  0.15488690  0.67128472  0.37297241  1.0
  Er  Er11  1  0.65485097  0.82875921  0.12737878  1.0
  Er  Er12  1  0.84529526  0.32872680  0.62740309  1.0
  Er  Er13  1  0.34475940  0.17140006  0.87231661  1.0
  Er  Er14  1  0.84514220  0.32884440  0.87242210  1.0
  Er  Er15  1  0.15475402  0.67125452  0.12739058  1.0
  Mg  Mg16  1  0.17124299  0.50627148  0.74995427  1.0
  Mg  Mg17  1  0.82882506  0.49374398  0.25011327  1.0
  Mg  Mg18  1  0.32872771  0.00629711  0.25010043  1.0
  Mg  Mg19  1  0.67106329  0.99363617  0.75004877  1.0
  Sn  Sn20  1  0.03519461  0.09858661  0.74991272  1.0
  Sn  Sn21  1  0.96426333  0.90040880  0.25033957  1.0
  Sn  Sn22  1  0.46440650  0.59928736  0.25008433  1.0
  Sn  Sn23  1  0.53569686  0.40111264  0.74984620  1.0
  Sn  Sn24  1  0.18792801  0.45987415  0.53584549  1.0
  Sn  Sn25  1  0.81214496  0.54017045  0.46454320  1.0
  Sn  Sn26  1  0.31250009  0.96050153  0.46431245  1.0
  Sn  Sn27  1  0.81196821  0.54074178  0.03522537  1.0
  Sn  Sn28  1  0.68740068  0.03980185  0.53594597  1.0
  Sn  Sn29  1  0.18816494  0.46035251  0.96414130  1.0
  Sn  Sn30  1  0.68656751  0.03936419  0.96365560  1.0
  Sn  Sn31  1  0.31377480  0.95934891  0.03516979  1.0
  Sn  Sn32  1  0.31086151  0.84810236  0.74985230  1.0
  Sn  Sn33  1  0.68841676  0.15172688  0.25034208  1.0
  Sn  Sn34  1  0.18970250  0.34875246  0.25061112  1.0
  Sn  Sn35  1  0.81127873  0.65186290  0.74982573  1.0

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