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Yb8Ru3N8

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3292018 · Space group: C2/m (#12)

Basic Information

Formula
Yb8Ru3N8
MP-ID
mp-3292018
Elements
3
Sites
19
Density
10.3115
g/cm³
Volume
289.80
ų
Cell a
9.0973
Å
Cell b
9.0973
Å
Cell c
7.0221
Å
α Angle
75.56
°
β Angle
75.56
°
γ Angle
31.08
°
Space Group
C2/m
Point Group
2/m
Crystal System
Monoclinic
Bravais Lattice
Monoclinic C
Stability
Yes
Packing Fraction
0.5240

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
10.45 8.4659 1.1 (1,1,0)
13.05 6.7827 1.6 (0,0,1)
14.47 6.1231 3.0 (1,1,1)
23.85 3.7316 2.6 (1,0,-1)
24.12 3.6892 1.9 (2,1,0)
25.64 3.4739 6.1 (1,1,2)
27.58 3.2346 11.1 (2,2,-1)
29.17 3.0615 18.6 (2,2,2)
29.45 3.0326 17.2 (2,1,-1)
29.45 3.0326 17.2 (1,2,-1)
30.84 2.8997 7.8 (1,1,-2)
31.01 2.8837 14.6 (3,3,1)
31.44 2.8456 67.4 (1,0,2)
31.71 2.8220 19.0 (3,3,0)
32.08 2.7899 81.4 (3,2,1)
32.19 2.7812 28.7 (3,2,0)
32.19 2.7812 28.7 (2,3,0)
32.70 2.7382 26.4 (2,1,2)
33.72 2.6581 88.8 (1,0,-2)
35.74 2.5124 4.8 (3,3,2)
36.88 2.4374 100.0 (1,-1,0)
37.20 2.4172 15.3 (3,2,2)
37.20 2.4172 15.3 (2,3,2)
37.47 2.4003 11.9 (3,2,-1)
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Energy Properties

Formation Energy/atom
-1.24634
eV/atom
Energy/atom
-24.48521
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-24.4852
eV/atom
Volume/atom
15.25
ų
c/a Ratio
-

Electronic Properties

Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV

Magnetic Properties

Magnetic
Yes
Total Mag. Moment
1.9111
μB
Mag. Ordering
FM
Mag. Sites
3
Magnetization/Volume
0.006590
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Yb · 0.421
Element Family
Lanthanide
Solute Fraction
0.579
Interstitial Fraction
0.421

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.0199
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.4792
J/mol·K
Ω Parameter
1.7582
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
36.387%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.8914
smaller = more stable mixing
VEC
9.263
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-4.341
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9283
SS Former
0
Phase Tendency
IM

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.487
Family
Yb-rich Multi-Component
Matrix Element
Yb · 0.421

Related Tasks

Related computation task IDs (1)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-3292018
Reference Citation

The crystal structure and related material properties of Yb8Ru3N8 were obtained from the Materials Project database (MP-ID: mp-3292018, 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

BibTeX
@article{Horton2025,
  author  = {Horton, Matthew K. and Huck, Patrick and Yang, Ruo Xi and Munro, Jason M. and Dwaraknath, Shyam and Ganose, Alex M. and Kingsbury, Ryan S. and Wen, Mingjian and Shen, Jimmy X. and Mathis, Tyler S. and Kaplan, Aaron D. and Berket, Karlo and Riebesell, Janosh and George, Janine and Rosen, Andrew S. and Spotte-Smith, Evan W. C. and McDermott, Matthew J. and Cohen, Orion A. and Dunn, Alex and Kuner, Matthew C. and Rignanese, Gian-Marco and Petretto, Guido and Waroquiers, David and Griffin, Sinead M. and Neaton, Jeffrey B. and Chrzan, Daryl C. and Asta, Mark and Hautier, Geoffroy and Cholia, Shreyas and Ceder, Gerbrand and Ong, Shyue Ping and Jain, Anubhav and Persson, Kristin A.},
  title   = {Accelerated data-driven materials science with the Materials Project},
  journal = {Nature Materials},
  year    = {2025},
  volume  = {24},
  number  = {10},
  pages   = {1522--1532},
  month   = {oct},
  doi     = {10.1038/s41563-025-02272-0},
  issn    = {1476-4660},
  url     = {https://doi.org/10.1038/s41563-025-02272-0},
  abstract = {The Materials Project was launched formally in 2011 to drive materials discovery forwards through high-throughput computation and open data. More than a decade later, the Materials Project has become an indispensable tool used by more than 600,000 materials researchers around the world. This Perspective describes how the Materials Project, as a data platform and a software ecosystem, has helped to shape research in data-driven materials science. We cover how sustainable software and computational methods have accelerated materials design while becoming more open source and collaborative in nature. Next, we present cases where the Materials Project was used to understand and discover functional materials. We then describe our efforts to meet the needs of an expanding user base, through technical infrastructure updates ranging from data architecture and cloud resources to interactive web applications. Finally, we discuss opportunities to better aid the research community, with the vision that more accessible and easy-to-understand materials data will result in democratized materials knowledge and an increasingly collaborative community.}
}

3D Crystal Structure Rendering

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data
# generated using pymatgen
data_Yb8Ru3N8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.09732760
_cell_length_b   9.09732738
_cell_length_c   7.02207839
_cell_angle_alpha   75.55723580
_cell_angle_beta   75.55723590
_cell_angle_gamma   31.08168525
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Yb8Ru3N8
_chemical_formula_sum   'Yb8 Ru3 N8'
_cell_volume   289.79989046
_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  0.97481828  0.97481828  0.25248808  1.0
  Yb  Yb1  1  0.02518172  0.02518172  0.74751192  1.0
  Yb  Yb2  1  0.66576055  0.66576055  0.53125458  1.0
  Yb  Yb3  1  0.33423945  0.33423945  0.46874542  1.0
  Yb  Yb4  1  0.59636317  0.59636317  0.03499257  1.0
  Yb  Yb5  1  0.40363683  0.40363683  0.96500743  1.0
  Yb  Yb6  1  0.19705100  0.19705100  0.19824943  1.0
  Yb  Yb7  1  0.80294900  0.80294900  0.80175057  1.0
  Ru  Ru8  1  0.50000000  0.50000000  0.50000000  1.0
  Ru  Ru9  1  0.81134226  0.81134226  0.20717835  1.0
  Ru  Ru10  1  0.18865774  0.18865774  0.79282165  1.0
  N  N11  1  0.90479716  0.90479716  0.99522060  1.0
  N  N12  1  0.09520284  0.09520284  0.00477940  1.0
  N  N13  1  0.82623511  0.82623511  0.45742672  1.0
  N  N14  1  0.17376489  0.17376489  0.54257328  1.0
  N  N15  1  0.71128818  0.71128818  0.16911114  1.0
  N  N16  1  0.28871182  0.28871182  0.83088886  1.0
  N  N17  1  0.47057025  0.47057025  0.26825381  1.0
  N  N18  1  0.52942975  0.52942975  0.73174619  1.0
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