Yb7Cd2SnN2

High-Entropy Materials HEA

MP-ID: mp-3249642 · Space group: Cmmm (#65)

Materials Project API

Basic Information

Formula

Yb7Cd2SnN2

MP-ID

mp-3249642

Elements

Sites

Density

9.5533

g/cm³

Volume

275.12

Å³

Cell a

12.1729

Cell b

12.1729

Cell c

4.7884

α Angle

90.00

β Angle

90.00

γ Angle

157.19

Space Group

Cmmm

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
7.41	11.9324	2.2	(1,-1,0)
18.53	4.7884	1.6	(0,0,1)
18.80	4.7201	1.5	(1,0,0)
22.35	3.9775	1.1	(3,-3,0)
29.19	3.0596	1.2	(3,-3,1)
32.36	2.7667	100.0	(3,-2,1)
37.35	2.4076	18.8	(1,1,0)
37.57	2.3942	18.5	(0,0,2)
37.69	2.3865	16.3	(5,-5,0)
54.01	1.6977	13.0	(1,1,2)
54.11	1.6949	5.7	(4,-6,0)
54.11	1.6949	5.7	(6,-4,0)
54.27	1.6902	11.4	(5,-5,2)
64.24	1.4499	7.1	(1,-4,1)
64.24	1.4499	7.1	(4,-1,1)
64.53	1.4441	13.9	(3,-2,3)
64.70	1.4407	5.4	(7,-8,1)
64.70	1.4407	5.4	(8,-7,1)
67.74	1.3834	5.8	(4,-6,2)
67.74	1.3834	5.8	(6,-4,2)
79.64	1.2038	2.1	(2,2,0)
80.18	1.1971	2.1	(0,0,4)
80.49	1.1932	1.3	(10,-10,0)
88.86	1.1012	6.1	(4,-1,3)

Get direct link

Energy Properties

Formation Energy/atom

-0.92238

eV/atom

Energy/atom

-29.16565

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-29.1657

eV/atom

Volume/atom

22.93

Å³

c/a Ratio

0.3934

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0191

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000070

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

0.8959

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

23.640%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.7096

smaller = more stable mixing

VEC

11.333

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-8.218

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8070

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahcxeg

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3249642

Reference Citation

The crystal structure and related material properties of Yb7Cd2SnN2 were obtained from the Materials Project database (MP-ID: mp-3249642, 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_Yb7Cd2SnN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.17286408
_cell_length_b   12.17286492
_cell_length_c   4.78839369
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   157.18530440
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Yb7Cd2SnN2
_chemical_formula_sum   'Yb7 Cd2 Sn1 N2'
_cell_volume   275.12464371
_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  0.90477007  0.09522993  0.00000000  1.0
  Yb  Yb1  1  0.69517376  0.30482624  0.00000000  1.0
  Yb  Yb2  1  0.50000000  0.50000000  0.00000000  1.0
  Yb  Yb3  1  0.30482624  0.69517376  0.00000000  1.0
  Yb  Yb4  1  0.09522993  0.90477007  0.00000000  1.0
  Yb  Yb5  1  0.59507659  0.40492341  0.50000000  1.0
  Yb  Yb6  1  0.40492341  0.59507659  0.50000000  1.0
  Cd  Cd7  1  0.79009597  0.20990303  0.50000000  1.0
  Cd  Cd8  1  0.20990303  0.79009597  0.50000000  1.0
  Sn  Sn9  1  0.00000000  0.00000000  0.50000000  1.0
  N  N10  1  0.60243510  0.39756390  0.00000000  1.0
  N  N11  1  0.39756390  0.60243510  0.00000000  1.0

Get direct link