SmGe2Pt

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1005755 · Space group: Immm (#71)

Materials Project API

Basic Information

Formula

SmGe2Pt

MP-ID

mp-1005755

Elements

Sites

Density

10.2938

g/cm³

Volume

316.64

Å³

Cell a

4.4014

Cell b

8.7552

Cell c

9.5668

α Angle

117.23

β Angle

103.29

γ Angle

90.00

Space Group

Immm

Point Group

mmm

Crystal System

Orthorhombic

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
10.77	8.2171	35.9	(0,0,1)
11.45	7.7271	1.1	(0,1,-1)
11.45	7.7270	1.1	(0,1,0)
20.29	4.3776	47.5	(0,2,-1)
20.89	4.2517	8.3	(1,0,0)
20.89	4.2514	8.4	(1,0,-1)
21.63	4.1085	6.2	(0,0,2)
22.61	3.9325	3.1	(1,-1,0)
22.61	3.9324	3.2	(1,1,-1)
25.97	3.4313	20.4	(1,0,1)
25.97	3.4309	20.1	(1,0,-2)
29.02	3.0772	1.3	(0,1,-3)
29.02	3.0771	1.3	(0,1,2)
29.82	2.9958	6.6	(0,2,-3)
29.82	2.9958	6.6	(0,2,1)
31.13	2.8734	1.1	(0,3,-2)
31.13	2.8734	1.1	(0,3,-1)
32.69	2.7390	29.9	(0,0,3)
33.17	2.7006	69.2	(1,-2,2)
33.17	2.7005	69.3	(1,2,0)
33.18	2.7004	69.3	(1,-2,-1)
33.18	2.7004	69.3	(1,2,-3)
34.04	2.6337	54.5	(1,0,2)
34.05	2.6334	54.7	(1,0,-3)

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Energy Properties

Formation Energy/atom

-0.89520

eV/atom

Energy/atom

-5.90414

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-28.2186

eV/atom

Volume/atom

19.79

Å³

c/a Ratio

2.1736

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0000

μB

Mag. Ordering

Unknown

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

Ge · 0.500

Element Family

PostTransition-Noble

Solute Fraction

0.500

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0397

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.6442

J/mol·K

Ω Parameter

2.8638

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

17.165%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4175

smaller = more stable mixing

VEC

6.000

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-4.383

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9464

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.469

Family

Ge-rich Multi-Component

Matrix Element

Ge · 0.500

Related Tasks

Related computation task IDs (5)

aaadngpi aaadrlar aaaekqdp aaaeufwm aaafygvj

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1005755

Reference Citation

The crystal structure and related material properties of SmGe2Pt were obtained from the Materials Project database (MP-ID: mp-1005755, 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_SmGe2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.40138738
_cell_length_b   8.75517794
_cell_length_c   9.56676377
_cell_angle_alpha   117.23148793
_cell_angle_beta   103.29283845
_cell_angle_gamma   90.00091172
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmGe2Pt
_chemical_formula_sum   'Sm4 Ge8 Pt4'
_cell_volume   316.64491369
_cell_formula_units_Z   4
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  0.00002179  0.23811086  0.00000039  1.0
  Sm  Sm1  1  0.99997921  0.76188914  -0.00000039  1.0
  Sm  Sm2  1  0.20266526  0.20264306  0.40529181  1.0
  Sm  Sm3  1  0.79733474  0.79735694  0.59470919  1.0
  Ge  Ge4  1  0.57385491  0.07437196  0.14869198  1.0
  Ge  Ge5  1  0.57445721  0.57335474  0.14668885  1.0
  Ge  Ge6  1  0.19909911  0.54777208  0.39756696  1.0
  Ge  Ge7  1  0.19888271  0.84978036  0.39755208  1.0
  Ge  Ge8  1  0.80111829  0.15021964  0.60244792  1.0
  Ge  Ge9  1  0.80090189  0.45222792  0.60243304  1.0
  Ge  Ge10  1  0.42554379  0.42664626  0.85331115  1.0
  Ge  Ge11  1  0.42614509  0.92562904  0.85130802  1.0
  Pt  Pt12  1  0.64957907  0.40259376  0.29831423  1.0
  Pt  Pt13  1  0.64922572  0.89578533  0.29820293  1.0
  Pt  Pt14  1  0.35077528  0.10421467  0.70179807  1.0
  Pt  Pt15  1  0.35042293  0.59740624  0.70168677  1.0

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