Yb7Ge2PbN2

High-Entropy Materials HEA

MP-ID: mp-3248433 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

Yb7Ge2PbN2

MP-ID

mp-3248433

Elements

Sites

Density

10.3113

g/cm³

Volume

256.34

Å³

Cell a

11.7563

Cell b

11.7563

Cell c

4.7518

α Angle

90.00

β Angle

90.00

γ Angle

157.03

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 22)

2θ	d (Å)	I	hkl
18.67	4.7518	1.6	(0,0,1)
19.34	4.5887	3.3	(1,0,0)
23.16	3.8403	2.9	(3,-3,0)
27.01	3.3009	2.2	(1,0,1)
29.19	3.0593	1.3	(2,-1,1)
29.92	2.9868	1.6	(3,-3,1)
33.16	2.7019	100.0	(3,-2,1)
37.87	2.3759	19.3	(0,0,2)
38.45	2.3413	18.5	(1,1,0)
39.09	2.3042	15.9	(5,-5,0)
44.86	2.0205	1.0	(3,-3,2)
51.52	1.7739	2.1	(6,-5,1)
55.07	1.6676	13.1	(1,1,2)
55.56	1.6541	11.5	(5,-5,2)
55.99	1.6423	11.2	(6,-4,0)
65.42	1.4267	14.4	(3,-2,3)
66.20	1.4116	13.9	(4,-1,1)
67.08	1.3952	10.8	(8,-7,1)
69.59	1.3509	11.7	(6,-4,2)
80.93	1.1879	2.2	(0,0,4)
82.38	1.1706	2.1	(2,2,0)
84.00	1.1521	1.3	(10,-10,0)

Get direct link

Energy Properties

Formation Energy/atom

-0.92536

eV/atom

Energy/atom

-30.75805

eV/atom

Energy above Hull

0.0747

eV/atom

Uncorrected Energy

-30.7581

eV/atom

Volume/atom

21.36

Å³

c/a Ratio

0.4042

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

1.4338

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

25.459%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.7469

smaller = more stable mixing

VEC

10.000

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-5.854

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8070

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahcvjt

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3248433

Reference Citation

The crystal structure and related material properties of Yb7Ge2PbN2 were obtained from the Materials Project database (MP-ID: mp-3248433, 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…

Style: Ball & Stick | Drag to rotate · Scroll to zoom · Right-click to pan

Raw CIF Data

# generated using pymatgen
data_Yb7Ge2PbN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.75627346
_cell_length_b   11.75627322
_cell_length_c   4.75175732
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   157.02543737
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Yb7Ge2PbN2
_chemical_formula_sum   'Yb7 Ge2 Pb1 N2'
_cell_volume   256.34042334
_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  0.00037539  0.99962461  0.00000000  1.0
  Yb  Yb1  1  0.79894402  0.20105598  0.00000000  1.0
  Yb  Yb2  1  0.59616412  0.40383588  0.00000000  1.0
  Yb  Yb3  1  0.40522508  0.59477492  0.00000000  1.0
  Yb  Yb4  1  0.19851525  0.80148475  0.00000000  1.0
  Yb  Yb5  1  0.90800137  0.09199863  0.50000100  1.0
  Yb  Yb6  1  0.09475111  0.90524889  0.50000100  1.0
  Ge  Ge7  1  0.70739551  0.29260449  0.50000100  1.0
  Ge  Ge8  1  0.50020863  0.49979137  0.50000100  1.0
  Pb  Pb9  1  0.29175081  0.70824919  0.50000100  1.0
  N  N10  1  0.89535400  0.10464600  0.00000000  1.0
  N  N11  1  0.10331473  0.89668527  0.00000000  1.0

Get direct link