Sm7Tm(Sc3Sn4)4

High-Entropy Materials HEA

MP-ID: mp-3292332 · Space group: P1 (#1)

Materials Project API

Basic Information

Formula

Sm7Tm(Sc3Sn4)4

MP-ID

mp-3292332

Elements

Sites

Density

6.5823

g/cm³

Volume

923.39

Å³

Cell a

7.7765

Cell b

7.9240

Cell c

14.9853

α Angle

90.05

β Angle

89.67

γ Angle

90.21

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
11.81	7.4925	3.0	(0,0,2)
12.63	7.0072	27.1	(0,1,-1)
12.64	7.0025	24.8	(0,1,1)
15.94	5.5603	5.3	(1,-1,0)
16.00	5.5401	4.3	(1,1,0)
17.03	5.2051	1.4	(1,-1,-1)
17.04	5.2023	1.2	(1,1,1)
17.08	5.1904	1.8	(1,1,-1)
19.84	4.4750	3.3	(1,-1,2)
19.90	4.4621	4.8	(1,1,2)
19.93	4.4552	4.4	(1,-1,-2)
19.97	4.4472	3.6	(1,1,-2)
21.02	4.2271	27.9	(0,1,-3)
21.03	4.2240	28.7	(0,1,3)
22.87	3.8882	8.1	(2,0,0)
23.75	3.7463	6.2	(0,0,4)
23.89	3.7245	25.0	(1,-1,3)
23.95	3.7163	24.1	(1,1,3)
24.00	3.7073	23.7	(1,-1,-3)
24.03	3.7034	21.9	(1,1,-3)
25.19	3.5354	16.4	(1,-2,0)
25.27	3.5250	15.5	(1,2,0)
25.42	3.5036	8.7	(0,2,-2)
25.44	3.5013	7.3	(0,2,2)

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Energy Properties

Formation Energy/atom

-0.85507

eV/atom

Energy/atom

-22.40986

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-22.4099

eV/atom

Volume/atom

25.65

Å³

c/a Ratio

1.9270

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0044

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000000

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

1.1446

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.5161

J/mol·K

Ω Parameter

0.6922

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

7.843%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3406

smaller = more stable mixing

VEC

4.306

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-15.688

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8256

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfiie

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3292332

Reference Citation

The crystal structure and related material properties of Sm7Tm(Sc3Sn4)4 were obtained from the Materials Project database (MP-ID: mp-3292332, 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_Sm7Tm(Sc3Sn4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.77652741
_cell_length_b   7.92398498
_cell_length_c   14.98529614
_cell_angle_alpha   90.04804320
_cell_angle_beta   89.67296699
_cell_angle_gamma   90.20849106
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm7Tm(Sc3Sn4)4
_chemical_formula_sum   'Sm7 Tm1 Sc12 Sn16'
_cell_volume   923.38876374
_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
  Sm  Sm0  1  0.98899809  0.17526620  0.09581930  1.0
  Sm  Sm1  1  0.01183926  0.82362049  0.90251819  1.0
  Sm  Sm2  1  0.50984454  0.67461750  0.90467516  1.0
  Sm  Sm3  1  0.01228987  0.82200324  0.59612758  1.0
  Sm  Sm4  1  0.48917728  0.32463525  0.09554003  1.0
  Sm  Sm5  1  0.98829490  0.17789291  0.40519355  1.0
  Sm  Sm6  1  0.48640960  0.32452892  0.40479124  1.0
  Tm  Tm7  1  0.51584584  0.67771702  0.59675078  1.0
  Sc  Sc8  1  0.18228577  0.49498499  0.74830168  1.0
  Sc  Sc9  1  0.81730446  0.50559503  0.25128646  1.0
  Sc  Sc10  1  0.31755407  0.99424171  0.25061899  1.0
  Sc  Sc11  1  0.68203592  0.00546895  0.74903784  1.0
  Sc  Sc12  1  0.35108352  0.16134870  0.62521626  1.0
  Sc  Sc13  1  0.64793842  0.83792111  0.37533628  1.0
  Sc  Sc14  1  0.14733351  0.66037279  0.37629419  1.0
  Sc  Sc15  1  0.65063381  0.83802322  0.12557240  1.0
  Sc  Sc16  1  0.85247300  0.33993429  0.62419443  1.0
  Sc  Sc17  1  0.35048644  0.16176506  0.87316597  1.0
  Sc  Sc18  1  0.84827703  0.33763035  0.87400857  1.0
  Sc  Sc19  1  0.15004370  0.66292069  0.12528947  1.0
  Sn  Sn20  1  0.04557429  0.13148734  0.74925729  1.0
  Sn  Sn21  1  0.95410519  0.86831209  0.25115012  1.0
  Sn  Sn22  1  0.45299341  0.63089182  0.25015841  1.0
  Sn  Sn23  1  0.54635432  0.37073140  0.74899559  1.0
  Sn  Sn24  1  0.32190658  0.85311703  0.74831013  1.0
  Sn  Sn25  1  0.68101581  0.14443475  0.25003687  1.0
  Sn  Sn26  1  0.18109163  0.35556159  0.24980421  1.0
  Sn  Sn27  1  0.81600531  0.64453141  0.74936946  1.0
  Sn  Sn28  1  0.19584707  0.45858129  0.54447595  1.0
  Sn  Sn29  1  0.80551863  0.54702259  0.45885105  1.0
  Sn  Sn30  1  0.31220247  0.95415478  0.45784056  1.0
  Sn  Sn31  1  0.81476909  0.54602459  0.04233685  1.0
  Sn  Sn32  1  0.68765475  0.04203780  0.54369360  1.0
  Sn  Sn33  1  0.18484885  0.45308356  0.95701345  1.0
  Sn  Sn34  1  0.68605412  0.04305771  0.95667871  1.0
  Sn  Sn35  1  0.31390845  0.95648382  0.04229040  1.0

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