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Yb5Ge2BiH

High-Entropy Materials HEA

MP-ID: mp-3297742 · Space group: I4/mcm (#140)

Basic Information

Formula
Yb5Ge2BiH
MP-ID
mp-3297742
Elements
4
Sites
18
Density
9.4385
g/cm³
Volume
429.44
ų
Cell a
9.0080
Å
Cell b
9.0080
Å
Cell c
9.0080
Å
α Angle
129.04
°
β Angle
129.04
°
γ Angle
74.95
°
Space Group
I4/mcm
Point Group
4/mmm
Crystal System
Tetragonal
Bravais Lattice
Tetragonal I
Stability
Yes
Packing Fraction
0.7400

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
16.17 5.4804 3.9 (0,0,1)
20.42 4.3494 2.5 (1,1,0)
22.95 3.8753 1.4 (1,-1,1)
26.46 3.3686 22.3 (1,0,1)
26.46 3.3686 3.2 (1,-2,0)
29.84 2.9940 42.5 (2,2,-1)
31.93 2.8032 100.0 (2,1,0)
32.68 2.7402 18.8 (0,0,2)
34.12 2.6275 42.1 (3,1,-1)
34.12 2.6275 14.0 (1,3,-3)
36.67 2.4509 71.4 (1,-1,2)
37.75 2.3830 6.0 (3,3,-3)
40.91 2.2058 3.9 (3,2,-1)
40.91 2.2058 6.6 (4,1,-3)
41.31 2.1854 1.9 (3,3,-2)
41.31 2.1854 1.9 (3,3,-4)
41.52 2.1747 2.7 (2,2,0)
41.52 2.1747 2.7 (2,2,-4)
44.64 2.0299 2.4 (4,2,-2)
44.84 2.0214 1.7 (3,1,0)
46.34 1.9595 3.4 (2,1,1)
46.89 1.9376 1.1 (2,-2,2)
48.87 1.8637 3.0 (2,-1,2)
48.87 1.8637 5.0 (1,-2,-2)
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Energy Properties

Formation Energy/atom
-0.74605
eV/atom
Energy/atom
-31.00697
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-31.0070
eV/atom
Volume/atom
23.86
ų
c/a Ratio
1.0000

Electronic Properties

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

Magnetic Properties

Magnetic
Yes
Total Mag. Moment
5.8994
μB
Mag. Ordering
FM
Mag. Sites
10
Magnetization/Volume
0.013740
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Yb · 0.556
Element Family
Lanthanide
Solute Fraction
0.444
Interstitial Fraction
0.000

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.1491
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
9.5533
J/mol·K
Ω Parameter
10.2784
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
32.324%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.4801
smaller = more stable mixing
VEC
9.333
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-0.874
kJ/mol; negative = exothermic mixing
Entropy Norm
0.8289
SS Former
0
Phase Tendency
IM

Related Tasks

Related computation task IDs (1)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-3297742
Reference Citation

The crystal structure and related material properties of Yb5Ge2BiH were obtained from the Materials Project database (MP-ID: mp-3297742, 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_Yb5Ge2BiH
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.00795865
_cell_length_b   9.00795813
_cell_length_c   9.00795832
_cell_angle_alpha   129.03912747
_cell_angle_beta   129.03912629
_cell_angle_gamma   74.94762148
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Yb5Ge2BiH
_chemical_formula_sum   'Yb10 Ge4 Bi2 H2'
_cell_volume   429.44213103
_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  0.50000000  0.50000000  0.00000000  1.0
  Yb  Yb1  1  0.00000000  0.00000000  0.00000000  1.0
  Yb  Yb2  1  0.51967734  0.01967734  0.82059534  1.0
  Yb  Yb3  1  0.19908300  0.69908300  0.17940466  1.0
  Yb  Yb4  1  0.01967734  0.19908300  0.50000000  1.0
  Yb  Yb5  1  0.69908300  0.51967734  0.50000000  1.0
  Yb  Yb6  1  0.48032266  0.98032266  0.17940466  1.0
  Yb  Yb7  1  0.80091700  0.30091700  0.82059534  1.0
  Yb  Yb8  1  0.98032266  0.80091700  0.50000000  1.0
  Yb  Yb9  1  0.30091700  0.48032266  0.50000000  1.0
  Ge  Ge10  1  0.87706968  0.37706968  0.25414135  1.0
  Ge  Ge11  1  0.12293032  0.62293032  0.74585865  1.0
  Ge  Ge12  1  0.37706968  0.12293032  0.50000000  1.0
  Ge  Ge13  1  0.62293032  0.87706968  0.50000000  1.0
  Bi  Bi14  1  0.25000000  0.25000000  0.00000000  1.0
  Bi  Bi15  1  0.75000000  0.75000000  0.00000000  1.0
  H  H16  1  0.25000000  0.75000000  0.50000000  1.0
  H  H17  1  0.75000000  0.25000000  0.50000000  1.0
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