Yb7Sn2GeN2

High-Entropy Materials HEA

MP-ID: mp-3247710 · Space group: Cmmm (#65)

Materials Project API

Basic Information

Formula

Yb7Sn2GeN2

MP-ID

mp-3247710

Elements

Sites

Density

9.8078

g/cm³

Volume

262.32

Å³

Cell a

11.8728

Cell b

11.8728

Cell c

4.7942

α Angle

90.00

β Angle

90.00

γ Angle

157.16

Space Group

Cmmm

Point Group

mmm

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 24)

2θ	d (Å)	I	hkl
7.60	11.6377	1.2	(1,-1,0)
18.51	4.7942	4.9	(0,0,1)
19.26	4.6085	4.9	(1,0,0)
22.93	3.8793	4.1	(3,-3,0)
26.83	3.3224	2.4	(1,0,1)
26.95	3.3080	2.3	(3,-2,0)
29.62	3.0157	2.5	(3,-3,1)
30.73	2.9094	1.0	(4,-4,0)
32.90	2.7227	100.0	(3,-2,1)
32.90	2.7227	100.0	(2,-3,1)
37.52	2.3971	38.9	(0,0,2)
38.29	2.3508	36.8	(1,1,0)
38.69	2.3276	31.8	(5,-5,0)
42.51	2.1266	1.2	(1,0,2)
42.85	2.1107	1.1	(1,1,1)
43.21	2.0938	1.5	(5,-5,1)
44.43	2.0392	1.4	(3,-3,2)
51.02	1.7900	1.2	(6,-5,1)
51.02	1.7900	1.2	(5,-6,1)
54.69	1.6784	26.3	(1,1,2)
54.99	1.6699	23.0	(5,-5,2)
55.56	1.6540	11.2	(6,-4,0)
55.56	1.6540	11.2	(4,-6,0)
58.42	1.5798	1.9	(7,-6,1)

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Energy Properties

Formation Energy/atom

-0.98358

eV/atom

Energy/atom

-29.09420

eV/atom

Energy above Hull

0.0601

eV/atom

Uncorrected Energy

-29.0942

eV/atom

Volume/atom

21.86

Å³

c/a Ratio

0.4038

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0007

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

1.1002

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

24.507%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.7247

smaller = more stable mixing

VEC

10.000

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-7.064

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8070

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahcuhy

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3247710

Reference Citation

The crystal structure and related material properties of Yb7Sn2GeN2 were obtained from the Materials Project database (MP-ID: mp-3247710, 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_Yb7Sn2GeN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.87279270
_cell_length_b   11.87279157
_cell_length_c   4.79424109
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   157.16034449
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Yb7Sn2GeN2
_chemical_formula_sum   'Yb7 Sn2 Ge1 N2'
_cell_volume   262.31863372
_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  0.90547425  0.09452575  0.00000000  1.0
  Yb  Yb1  1  0.69778421  0.30221579  0.00000000  1.0
  Yb  Yb2  1  0.50000000  0.50000000  0.00000000  1.0
  Yb  Yb3  1  0.30221579  0.69778421  0.00000000  1.0
  Yb  Yb4  1  0.09452575  0.90547425  0.00000000  1.0
  Yb  Yb5  1  0.59209573  0.40790427  0.50000000  1.0
  Yb  Yb6  1  0.40790427  0.59209573  0.50000000  1.0
  Sn  Sn7  1  0.79313088  0.20686812  0.50000000  1.0
  Sn  Sn8  1  0.20686812  0.79313088  0.50000000  1.0
  Ge  Ge9  1  0.00000000  0.00000000  0.50000000  1.0
  N  N10  1  0.60271358  0.39728542  0.00000000  1.0
  N  N11  1  0.39728542  0.60271358  0.00000000  1.0

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