SmCoGe2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1078752 · Space group: Cmcm (#63)

Materials Project API

Basic Information

Formula

SmCoGe2

MP-ID

mp-1078752

Elements

Sites

Density

8.1703

g/cm³

Volume

144.13

Å³

Cell a

8.5154

Cell b

8.5154

Cell c

4.1574

α Angle

90.00

β Angle

90.00

γ Angle

151.44

Space Group

Cmcm

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
10.72	8.2522	4.2	(1,-1,0)
21.54	4.1261	2.0	(2,-2,0)
23.97	3.7128	7.1	(1,-1,1)
26.70	3.3389	5.6	(2,-1,0)
30.52	2.9286	2.9	(2,-2,1)
30.74	2.9088	21.3	(1,0,1)
32.55	2.7507	6.7	(3,-3,0)
34.45	2.6033	100.0	(2,-1,1)
34.56	2.5955	35.3	(3,-2,0)
39.27	2.2941	31.0	(3,-3,1)
40.99	2.2017	5.9	(3,-2,1)
43.06	2.1005	29.0	(1,1,0)
43.54	2.0787	28.1	(0,0,2)
43.89	2.0631	1.1	(4,-4,0)
44.04	2.0561	1.3	(4,-3,0)
49.31	1.8480	9.6	(4,-4,1)
49.45	1.8430	1.7	(4,-3,1)
49.88	1.8282	2.2	(2,0,1)
51.81	1.7646	1.9	(2,-1,2)
53.70	1.7069	1.1	(3,-1,1)
54.61	1.6807	13.6	(5,-4,0)
55.00	1.6694	3.1	(4,-2,0)
55.40	1.6584	3.0	(3,-3,2)
56.74	1.6225	16.6	(3,-2,2)

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Energy Properties

Formation Energy/atom

-0.65455

eV/atom

Energy/atom

-5.92906

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-18.3348

eV/atom

Volume/atom

18.02

Å³

c/a Ratio

0.4882

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

6.9209

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

18.558%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3490

smaller = more stable mixing

VEC

5.750

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

1.729

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)

aaadmriq aaaemlmj aaaeurxh aaaezyud aaafcpgr

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1078752

Reference Citation

The crystal structure and related material properties of SmCoGe2 were obtained from the Materials Project database (MP-ID: mp-1078752, 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_SmCoGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.51537185
_cell_length_b   8.51537185
_cell_length_c   4.15735291
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   151.43831470
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmCoGe2
_chemical_formula_sum   'Sm2 Co2 Ge4'
_cell_volume   144.12757353
_cell_formula_units_Z   2
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  0.89070173  0.10929827  0.75000000  1.0
  Sm  Sm1  1  0.10929827  0.89070173  0.25000000  1.0
  Co  Co2  1  0.68237347  0.31762653  0.75000000  1.0
  Co  Co3  1  0.31762653  0.68237347  0.25000000  1.0
  Ge  Ge4  1  0.54546049  0.45453951  0.75000000  1.0
  Ge  Ge5  1  0.45453951  0.54546049  0.25000000  1.0
  Ge  Ge6  1  0.25033124  0.74966876  0.75000000  1.0
  Ge  Ge7  1  0.74966876  0.25033124  0.25000000  1.0

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