Sm10C4Br15

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3295003 · Space group: P-1 (#2)

Materials Project API

Basic Information

Formula

Sm10C4Br15

MP-ID

mp-3295003

Elements

Sites

Density

5.5293

g/cm³

Volume

825.92

Å³

Cell a

9.0157

Cell b

9.9827

Cell c

10.9466

α Angle

70.20

β Angle

66.15

γ Angle

70.66

Space Group

P-1

Point Group

-1

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
9.09	9.7255	27.3	(0,0,1)
9.67	9.1504	3.7	(0,1,0)
11.01	8.0330	24.8	(1,0,0)
11.60	7.6290	10.0	(0,1,1)
11.75	7.5287	29.2	(1,0,1)
11.91	7.4302	3.9	(1,1,1)
12.92	6.8516	6.8	(1,1,0)
14.78	5.9922	6.9	(0,1,-1)
16.24	5.4572	3.5	(1,-1,0)
16.46	5.3841	3.6	(1,0,-1)
16.84	5.2654	6.2	(1,1,2)
17.95	4.9427	2.0	(1,0,2)
17.97	4.9351	1.6	(1,-1,1)
18.24	4.8627	2.4	(0,0,2)
18.52	4.7911	1.5	(0,1,2)
18.96	4.6811	2.5	(1,1,-1)
19.29	4.6008	5.3	(1,-1,-1)
19.38	4.5798	2.4	(0,2,1)
19.86	4.4704	1.6	(2,1,1)
20.05	4.4284	2.1	(1,2,0)
20.85	4.2604	1.8	(1,2,2)
20.97	4.2369	3.7	(2,0,1)
21.69	4.0973	5.1	(2,1,2)
22.65	3.9253	5.5	(0,1,-2)

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Energy Properties

Formation Energy/atom

-1.75845

eV/atom

Energy/atom

-20.24126

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-20.2413

eV/atom

Volume/atom

28.48

Å³

c/a Ratio

1.2142

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.2147

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000260

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Br · 0.517

Element Family

Metalloid-Nonmetal

Solute Fraction

0.483

Interstitial Fraction

0.138

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9814

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.1591

J/mol·K

Ω Parameter

0.0000

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

29.230%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.8210

smaller = more stable mixing

VEC

5.207

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8933

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.477

Family

Interstitial Alloy

Matrix Element

Br · 0.517

Related Tasks

Related computation task IDs (1)

aaahfmgx

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3295003

Reference Citation

The crystal structure and related material properties of Sm10C4Br15 were obtained from the Materials Project database (MP-ID: mp-3295003, 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_Sm10C4Br15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.01570048
_cell_length_b   9.98267374
_cell_length_c   10.94661662
_cell_angle_alpha   70.20004228
_cell_angle_beta   66.14646494
_cell_angle_gamma   70.66332745
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm10C4Br15
_chemical_formula_sum   'Sm10 C4 Br15'
_cell_volume   825.92499062
_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  0.33230228  0.74943630  0.83206748  1.0
  Sm  Sm1  1  0.66769772  0.25056370  0.16793252  1.0
  Sm  Sm2  1  0.16855476  0.42998865  0.04541689  1.0
  Sm  Sm3  1  0.83144524  0.57001135  0.95458311  1.0
  Sm  Sm4  1  0.07948232  0.17947764  0.88758619  1.0
  Sm  Sm5  1  0.92051768  0.82052236  0.11241381  1.0
  Sm  Sm6  1  0.24839526  0.53949157  0.64482207  1.0
  Sm  Sm7  1  0.75160474  0.46050843  0.35517793  1.0
  Sm  Sm8  1  0.02653664  0.10566399  0.26366612  1.0
  Sm  Sm9  1  0.97346336  0.89433601  0.73633388  1.0
  C  C10  1  0.87830678  0.36079523  0.17254207  1.0
  C  C11  1  0.12169322  0.63920477  0.82745793  1.0
  C  C12  1  0.95699522  0.29495135  0.05993218  1.0
  C  C13  1  0.04300478  0.70504865  0.94006782  1.0
  Br  Br14  1  0.50000000  0.50000000  0.00000000  1.0
  Br  Br15  1  0.13255829  0.81376075  0.46773417  1.0
  Br  Br16  1  0.86744171  0.18623925  0.53226583  1.0
  Br  Br17  1  0.25851138  0.02635332  0.64578704  1.0
  Br  Br18  1  0.74148862  0.97364668  0.35421296  1.0
  Br  Br19  1  0.33517403  0.16715352  0.22099270  1.0
  Br  Br20  1  0.66482597  0.83284648  0.77900730  1.0
  Br  Br21  1  0.44921005  0.36905361  0.41382949  1.0
  Br  Br22  1  0.55078995  0.63094639  0.58617051  1.0
  Br  Br23  1  0.94923216  0.44265334  0.70153926  1.0
  Br  Br24  1  0.05076784  0.55734666  0.29846074  1.0
  Br  Br25  1  0.23365399  0.90675288  0.06168630  1.0
  Br  Br26  1  0.76634601  0.09324712  0.93831370  1.0
  Br  Br27  1  0.38944563  0.26897131  0.81538013  1.0
  Br  Br28  1  0.61055437  0.73102869  0.18461987  1.0

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