Yb7Ga(SnN)2

High-Entropy Materials HEA

MP-ID: mp-3247114 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

Yb7Ga(SnN)2

MP-ID

mp-3247114

Elements

Sites

Density

9.6615

g/cm³

Volume

265.79

Å³

Cell a

11.9683

Cell b

11.9683

Cell c

4.7938

α Angle

90.00

β Angle

90.00

γ Angle

157.23

Space Group

Amm2

Point Group

mm2

Crystal System

Orthorhombic

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 20)

2θ	d (Å)	I	hkl
7.53	11.7327	2.1	(1,-1,0)
18.51	4.7938	2.4	(0,0,1)
19.16	4.6326	1.7	(1,0,0)
22.74	3.9109	1.1	(3,-3,0)
26.77	3.3300	1.2	(3,-2,0)
32.75	2.7349	100.0	(3,-2,1)
37.52	2.3969	18.9	(0,0,2)
38.09	2.3628	18.1	(1,1,0)
38.36	2.3466	16.9	(5,-5,0)
54.54	1.6827	12.9	(1,1,2)
54.74	1.6768	12.1	(5,-5,2)
55.16	1.6650	11.9	(6,-4,0)
64.70	1.4406	14.5	(3,-2,3)
65.46	1.4258	14.0	(4,-1,1)
65.84	1.4186	12.5	(8,-7,1)
68.63	1.3674	12.3	(6,-4,2)
80.07	1.1984	2.1	(0,0,4)
81.47	1.1814	2.0	(2,2,0)
82.15	1.1733	1.7	(10,-10,0)
89.92	1.0911	6.3	(4,-1,3)

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Energy Properties

Formation Energy/atom

-0.98327

eV/atom

Energy/atom

-28.89147

eV/atom

Energy above Hull

0.0511

eV/atom

Uncorrected Energy

-28.8915

eV/atom

Volume/atom

22.15

Å³

c/a Ratio

0.4005

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0003

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

Yb · 0.583

Element Family

Lanthanide

Solute Fraction

0.417

Interstitial Fraction

0.167

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.1187

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.3012

J/mol·K

Ω Parameter

0.9563

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

24.061%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.7184

smaller = more stable mixing

VEC

9.917

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-7.391

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8070

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahctla

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3247114

Reference Citation

The crystal structure and related material properties of Yb7Ga(SnN)2 were obtained from the Materials Project database (MP-ID: mp-3247114, 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

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Raw CIF Data

# generated using pymatgen
data_Yb7Ga(SnN)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.96829366
_cell_length_b   11.96829356
_cell_length_c   4.79374793
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   157.22737933
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Yb7Ga(SnN)2
_chemical_formula_sum   'Yb7 Ga1 Sn2 N2'
_cell_volume   265.78765757
_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
  Yb  Yb0  1  0.90121912  0.09878088  0.00000000  1.0
  Yb  Yb1  1  0.69921439  0.30078561  0.00000000  1.0
  Yb  Yb2  1  0.50029981  0.49970019  0.00000000  1.0
  Yb  Yb3  1  0.30090649  0.69909351  0.00000000  1.0
  Yb  Yb4  1  0.09923673  0.90076327  0.00000000  1.0
  Yb  Yb5  1  0.59839460  0.40160540  0.50000000  1.0
  Yb  Yb6  1  0.40188191  0.59811809  0.50000000  1.0
  Ga  Ga7  1  0.79040931  0.20958969  0.50000000  1.0
  Sn  Sn8  1  0.99957700  0.00042300  0.50000000  1.0
  Sn  Sn9  1  0.20913864  0.79086036  0.50000000  1.0
  N  N10  1  0.60459723  0.39540177  0.00000000  1.0
  N  N11  1  0.39512376  0.60487524  0.00000000  1.0

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