Pr9Dy7(ScSn4)4

High-Entropy Materials HEA

MP-ID: mp-3293369 · Space group: P1 (#1)

Materials Project API

Basic Information

Formula

Pr9Dy7(ScSn4)4

MP-ID

mp-3293369

Elements

Sites

Density

7.2332

g/cm³

Volume

1,029.60

Å³

Cell a

8.0108

Cell b

8.2159

Cell c

15.6439

α Angle

90.17

β Angle

90.00

γ Angle

90.06

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
5.65	15.6438	1.4	(0,0,1)
11.31	7.8219	1.1	(0,0,2)
12.15	7.2829	6.4	(0,1,-1)
12.18	7.2646	6.1	(0,1,1)
15.44	5.7388	1.5	(1,-1,0)
16.44	5.3916	8.7	(1,-1,1)
16.46	5.3860	9.5	(1,1,-1)
16.46	5.3840	10.5	(1,-1,-1)
16.48	5.3788	12.1	(1,1,1)
19.16	4.6319	5.2	(1,-1,2)
19.18	4.6282	4.5	(1,1,-2)
19.20	4.6222	3.8	(1,-1,-2)
19.22	4.6191	4.9	(1,1,2)
21.63	4.1079	6.8	(0,2,0)
22.74	3.9110	13.3	(0,0,4)
22.92	3.8803	12.5	(2,0,1)
22.92	3.8801	12.7	(2,0,-1)
23.02	3.8635	6.3	(1,-1,3)
23.03	3.8613	6.4	(1,1,-3)
23.07	3.8552	7.8	(1,-1,-3)
23.08	3.8534	7.9	(1,1,3)
24.45	3.6414	6.9	(0,2,-2)
24.51	3.6323	5.9	(0,2,2)
24.72	3.6019	9.7	(2,-1,0)

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Energy Properties

Formation Energy/atom

-0.89442

eV/atom

Energy/atom

-26.72889

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-26.7289

eV/atom

Volume/atom

28.60

Å³

c/a Ratio

1.9529

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0072

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000010

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

1.2695

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

10.5550

J/mol·K

Ω Parameter

2.1288

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

8.708%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3794

smaller = more stable mixing

VEC

4.806

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-5.229

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9158

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfjwb

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3293369

Reference Citation

The crystal structure and related material properties of Pr9Dy7(ScSn4)4 were obtained from the Materials Project database (MP-ID: mp-3293369, 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_Pr9Dy7(ScSn4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.01076507
_cell_length_b   8.21585841
_cell_length_c   15.64386557
_cell_angle_alpha   90.17419906
_cell_angle_beta   89.99509777
_cell_angle_gamma   90.06485628
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pr9Dy7(ScSn4)4
_chemical_formula_sum   'Pr9 Dy7 Sc4 Sn16'
_cell_volume   1029.60046427
_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
  Pr  Pr0  1  0.84991397  0.66335378  0.87893974  1.0
  Pr  Pr1  1  0.51098382  0.32279956  0.90210545  1.0
  Pr  Pr2  1  0.01034884  0.17782980  0.59523940  1.0
  Pr  Pr3  1  0.49101730  0.67803064  0.40363988  1.0
  Pr  Pr4  1  0.99176399  0.82044549  0.09848286  1.0
  Pr  Pr5  1  0.48979406  0.67589367  0.09822408  1.0
  Pr  Pr6  1  0.98929528  0.82248950  0.40270229  1.0
  Pr  Pr7  1  0.50843723  0.32115322  0.59566887  1.0
  Pr  Pr8  1  0.00873913  0.17979432  0.90339866  1.0
  Dy  Dy9  1  0.34728504  0.83721516  0.87411329  1.0
  Dy  Dy10  1  0.84808926  0.66278466  0.62372566  1.0
  Dy  Dy11  1  0.65165776  0.16145109  0.37608323  1.0
  Dy  Dy12  1  0.15155088  0.33807306  0.12418032  1.0
  Dy  Dy13  1  0.65053068  0.16151178  0.12716128  1.0
  Dy  Dy14  1  0.15171704  0.33711773  0.37569145  1.0
  Dy  Dy15  1  0.34848101  0.83877889  0.62216394  1.0
  Sc  Sc16  1  0.18207755  0.50311852  0.74948919  1.0
  Sc  Sc17  1  0.67962884  0.99820127  0.74734729  1.0
  Sc  Sc18  1  0.81908467  0.49597578  0.25048531  1.0
  Sc  Sc19  1  0.31894714  0.00306951  0.25136752  1.0
  Sn  Sn20  1  0.31345333  0.03943272  0.04402919  1.0
  Sn  Sn21  1  0.81222682  0.46006440  0.45544806  1.0
  Sn  Sn22  1  0.69049351  0.95996337  0.54398390  1.0
  Sn  Sn23  1  0.19984020  0.53899891  0.95685172  1.0
  Sn  Sn24  1  0.68045733  0.96637137  0.95735247  1.0
  Sn  Sn25  1  0.18694687  0.54007362  0.54380429  1.0
  Sn  Sn26  1  0.30991931  0.03982720  0.45456568  1.0
  Sn  Sn27  1  0.80886909  0.45652271  0.04906961  1.0
  Sn  Sn28  1  0.53990549  0.62446407  0.74658727  1.0
  Sn  Sn29  1  0.04347344  0.87938726  0.74827096  1.0
  Sn  Sn30  1  0.45731120  0.37541167  0.25130129  1.0
  Sn  Sn31  1  0.95869819  0.12466419  0.24998594  1.0
  Sn  Sn32  1  0.31556846  0.14864563  0.74898959  1.0
  Sn  Sn33  1  0.81550639  0.34866103  0.74804407  1.0
  Sn  Sn34  1  0.68401177  0.85061530  0.25077559  1.0
  Sn  Sn35  1  0.18397713  0.64780710  0.25073266  1.0

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