Sm4In21Pd10

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-932458 · Space group: P1 (#1)

Materials Project API

Basic Information

Formula

Sm4In21Pd10

MP-ID

mp-932458

Elements

Sites

Density

8.9099

g/cm³

Volume

759.80

Å³

Cell a

4.5308

Cell b

11.8959

Cell c

14.6479

α Angle

95.22

β Angle

98.90

γ Angle

100.98

Space Group

Point Group

Crystal System

Triclinic

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
10.39	8.5161	1.1	(0,1,1)
15.77	5.6206	8.1	(0,2,-1)
18.45	4.8102	1.8	(0,2,-2)
20.13	4.4101	2.1	(1,0,-1)
21.84	4.0700	1.6	(1,0,-2)
22.24	3.9966	7.8	(1,-1,-2)
22.58	3.9380	3.1	(0,2,-3)
22.77	3.9054	2.2	(1,-2,0)
23.03	3.8627	3.8	(0,3,0)
24.05	3.7005	1.2	(1,1,-2)
24.80	3.5900	1.4	(0,0,4)
25.03	3.5574	21.2	(1,0,-3)
25.15	3.5413	71.7	(1,-2,-2)
25.63	3.4763	22.3	(1,-1,-3)
26.77	3.3299	1.1	(1,1,-3)
26.90	3.3148	1.4	(0,1,4)
27.43	3.2512	51.7	(1,-3,0)
27.98	3.1889	12.3	(1,-3,-1)
28.30	3.1532	28.3	(1,-3,1)
28.42	3.1408	11.9	(1,-2,-3)
29.87	2.9912	8.7	(1,-3,-2)
29.98	2.9802	13.6	(1,-1,-4)
30.48	2.9330	39.4	(1,2,-3)
30.59	2.9230	69.0	(1,1,-4)

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Energy Properties

Formation Energy/atom

0.44344

eV/atom

Energy/atom

-23.06189

eV/atom

Energy above Hull

1.0676

eV/atom

Uncorrected Energy

-3.1254

eV/atom

Volume/atom

21.71

Å³

c/a Ratio

3.2330

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0049

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

In · 0.600

Element Family

PostTransition-Noble

Solute Fraction

0.400

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9123

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.5850

J/mol·K

Ω Parameter

0.8071

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

9.886%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3007

smaller = more stable mixing

VEC

5.343

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-8.776

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8304

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.364

Family

In-rich Multi-Component

Matrix Element

In · 0.600

Related Tasks

Related computation task IDs (1)

aaacbbju

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-932458

Reference Citation

The crystal structure and related material properties of Sm4In21Pd10 were obtained from the Materials Project database (MP-ID: mp-932458, 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_Sm4In21Pd10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.53076100
_cell_length_b   11.89594458
_cell_length_c   14.64793420
_cell_angle_alpha   95.21695583
_cell_angle_beta   98.89680669
_cell_angle_gamma   100.97805753
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm4In21Pd10
_chemical_formula_sum   'Sm4 In21 Pd10'
_cell_volume   759.79650152
_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  0.08637500  0.13512800  0.67506100  1.0
  Sm  Sm1  1  0.70737400  0.41194700  0.16579000  1.0
  Sm  Sm2  1  0.28511100  0.58805300  0.83421000  1.0
  Sm  Sm3  1  0.89656400  0.86487200  0.32493900  1.0
  In  In4  1  0.67202800  0.78844300  0.86741600  1.0
  In  In5  1  0.31622300  0.22011800  0.13238800  1.0
  In  In6  1  0.40244900  0.97674800  0.20399900  1.0
  In  In7  1  0.23674000  0.83245900  0.70238600  1.0
  In  In8  1  0.88834100  0.70791000  0.50471200  1.0
  In  In9  1  0.30352500  0.90030700  0.49578300  1.0
  In  In10  1  0.06088500  0.56442000  0.29951400  1.0
  In  In11  1  0.77158500  0.16754100  0.29761400  1.0
  In  In12  1  0.57937300  0.43438400  0.40433600  1.0
  In  In13  1  0.69961500  0.09969300  0.50421700  1.0
  In  In14  1  0.92481900  0.43558000  0.70048600  1.0
  In  In15  1  0.49523500  0.00000000  0.00000000  1.0
  In  In16  1  0.45257300  0.29355100  0.79404700  1.0
  In  In17  1  0.69512400  0.60338700  0.00211600  1.0
  In  In18  1  0.57581900  0.03448000  0.79834800  1.0
  In  In19  1  0.10096200  0.29209000  0.49528800  1.0
  In  In20  1  0.29275700  0.40738200  0.00045700  1.0
  In  In21  1  0.54017000  0.70644900  0.20595300  1.0
  In  In22  1  0.92279100  0.18107100  0.94945300  1.0
  In  In23  1  0.41765200  0.57707500  0.59423400  1.0
  In  In24  1  0.05875100  0.82755200  0.05306300  1.0
  Pd  Pd25  1  0.82235500  0.67883900  0.68982400  1.0
  Pd  Pd26  1  0.25682000  0.08285900  0.38502200  1.0
  Pd  Pd27  1  0.73436200  0.92634600  0.61539600  1.0
  Pd  Pd28  1  0.52312400  0.33517100  0.60616400  1.0
  Pd  Pd29  1  0.12813100  0.61984000  0.11375800  1.0
  Pd  Pd30  1  0.90988400  0.06593900  0.11109500  1.0
  Pd  Pd31  1  0.85992100  0.38974800  0.88764800  1.0
  Pd  Pd32  1  0.45615600  0.67579200  0.39415500  1.0
  Pd  Pd33  1  0.08691800  0.93406100  0.88890500  1.0
  Pd  Pd34  1  0.19101800  0.32116100  0.31017600  1.0

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