Yb(RuC)2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3250111 · Space group: Fddd (#70)

Materials Project API

Basic Information

Formula

Yb(RuC)2

MP-ID

mp-3250111

Elements

Sites

Density

10.0548

g/cm³

Volume

131.85

Å³

Cell a

6.5733

Cell b

5.7617

Cell c

5.3692

α Angle

72.29

β Angle

56.62

γ Angle

51.09

Space Group

Fddd

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
19.84	4.4742	1.0	(0,1,0)
27.27	3.2698	22.9	(2,1,1)
32.79	2.7315	100.0	(2,1,0)
34.54	2.5965	10.5	(1,0,-1)
34.54	2.5965	10.5	(1,2,1)
35.09	2.5570	1.1	(2,0,1)
35.09	2.5570	1.1	(1,0,2)
35.66	2.5175	93.9	(1,-1,0)
40.96	2.2034	34.1	(2,0,2)
44.09	2.0541	38.4	(3,1,1)
44.09	2.0541	12.8	(3,2,2)
50.15	1.8192	17.3	(3,2,0)
53.98	1.6986	6.1	(2,0,-1)
53.98	1.6986	18.3	(1,0,-2)
54.63	1.6800	4.3	(3,0,1)
54.63	1.6800	4.3	(1,0,3)
58.77	1.5710	12.7	(4,2,1)
60.35	1.5337	11.9	(0,2,2)
60.72	1.5253	8.8	(4,3,1)
61.74	1.5025	3.9	(4,1,2)
61.74	1.5025	11.6	(1,-2,2)
62.25	1.4914	4.5	(3,0,0)
62.25	1.4914	9.0	(0,3,0)
62.25	1.4914	4.5	(3,3,3)

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Energy Properties

Formation Energy/atom

-0.14272

eV/atom

Energy/atom

-21.59731

eV/atom

Energy above Hull

0.1462

eV/atom

Uncorrected Energy

-21.5973

eV/atom

Volume/atom

13.19

Å³

c/a Ratio

0.8168

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0000

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

Ru · 0.400

Element Family

4d-TM

Solute Fraction

0.600

Interstitial Fraction

0.400

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0549

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.7706

J/mol·K

Ω Parameter

1.6675

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

31.590%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.5335

smaller = more stable mixing

VEC

7.600

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-14.682

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9602

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.344

Family

Ru-rich Multi-Component

Matrix Element

Ru · 0.400

Related Tasks

Related computation task IDs (1)

aaahcxwh

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3250111

Reference Citation

The crystal structure and related material properties of Yb(RuC)2 were obtained from the Materials Project database (MP-ID: mp-3250111, 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_Yb(RuC)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.57329436
_cell_length_b   5.76166449
_cell_length_c   5.36921512
_cell_angle_alpha   72.29401655
_cell_angle_beta   56.61635747
_cell_angle_gamma   51.08963823
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Yb(RuC)2
_chemical_formula_sum   'Yb2 Ru4 C4'
_cell_volume   131.85486417
_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
  Yb  Yb0  1  0.00000000  0.00000000  0.00000000  1.0
  Yb  Yb1  1  0.24999900  0.25000000  0.25000000  1.0
  Ru  Ru2  1  0.63573172  0.63573272  0.36426828  1.0
  Ru  Ru3  1  0.88573072  0.88573272  0.61426828  1.0
  Ru  Ru4  1  0.36426728  0.36426728  0.63573372  1.0
  Ru  Ru5  1  0.61426728  0.61426928  0.88573272  1.0
  C  C6  1  0.31626915  0.68373085  0.31626915  1.0
  C  C7  1  0.56626815  0.93373185  0.56627015  1.0
  C  C8  1  0.68372985  0.31627115  0.68372985  1.0
  C  C9  1  0.93372985  0.56627015  0.93373185  1.0

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