Navigation

HEAS Data Platform · Materials Science Database

Er4Lu8Co5Bi

High-Entropy Materials HEA

MP-ID: mp-3294683 · Space group: Immm (#71)

Basic Information

Formula
Er4Lu8Co5Bi
MP-ID
mp-3294683
Elements
4
Sites
18
Density
10.3688
g/cm³
Volume
411.97
ų
Cell a
8.1235
Å
Cell b
8.1235
Å
Cell c
8.1235
Å
α Angle
110.18
°
β Angle
111.45
°
γ Angle
106.82
°
Space Group
Immm
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
Orthorhombic I
Stability
Yes
Packing Fraction
0.6800

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
22.87 3.8879 1.0 (1,1,0)
23.35 3.8104 3.8 (0,1,1)
23.54 3.7794 3.4 (1,0,1)
26.58 3.3537 1.3 (0,2,0)
26.81 3.3255 9.0 (2,0,0)
27.35 3.2608 2.8 (0,0,2)
29.28 3.0498 9.5 (1,2,-1)
29.34 3.0444 21.7 (2,1,-1)
30.28 2.9519 36.6 (1,-2,-1)
30.45 2.9355 6.0 (1,-1,-2)
30.73 2.9090 1.7 (2,-1,1)
30.86 2.8979 36.8 (1,-1,2)
33.12 2.7048 100.0 (1,1,1)
33.12 2.7048 33.3 (1,1,-3)
35.37 2.5376 63.9 (2,1,0)
35.77 2.5103 43.1 (0,2,1)
35.77 2.5103 14.4 (2,0,-3)
36.12 2.4867 2.8 (3,-1,0)
36.22 2.4803 11.1 (0,1,2)
36.22 2.4803 11.1 (2,-3,0)
36.43 2.4660 31.6 (1,0,2)
37.13 2.4213 19.5 (2,2,-2)
38.74 2.3245 9.9 (2,-2,-2)
39.39 2.2874 25.4 (2,-2,2)
Get direct link

Energy Properties

Formation Energy/atom
-0.27713
eV/atom
Energy/atom
-31.66681
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-31.6668
eV/atom
Volume/atom
22.89
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
0.3742
μB
Mag. Ordering
FiM
Mag. Sites
9
Magnetization/Volume
0.000910
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

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

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.2110
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
10.0686
J/mol·K
Ω Parameter
12.5618
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
13.814%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3050
smaller = more stable mixing
VEC
6.333
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
1.425
kJ/mol; negative = exothermic mixing
Entropy Norm
0.8736
SS Former
0
Phase Tendency
IM

Related Tasks

Related computation task IDs (1)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-3294683
Reference Citation

The crystal structure and related material properties of Er4Lu8Co5Bi were obtained from the Materials Project database (MP-ID: mp-3294683, 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_Er4Lu8Co5Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.12354390
_cell_length_b   8.12354340
_cell_length_c   8.12354321
_cell_angle_alpha   110.18099475
_cell_angle_beta   111.45178840
_cell_angle_gamma   106.81574348
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Er4Lu8Co5Bi
_chemical_formula_sum   'Er4 Lu8 Co5 Bi1'
_cell_volume   411.96696514
_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
  Er  Er0  1  0.21289545  0.41274842  0.19985296  1.0
  Er  Er1  1  0.78710455  0.58725158  0.80014704  1.0
  Er  Er2  1  0.21289545  0.01304249  0.80014704  1.0
  Er  Er3  1  0.78710455  0.98695751  0.19985296  1.0
  Lu  Lu4  1  0.28424856  0.18033300  0.46458156  1.0
  Lu  Lu5  1  0.71575144  0.81966700  0.53541844  1.0
  Lu  Lu6  1  0.28424856  0.81966700  0.10391556  1.0
  Lu  Lu7  1  0.71575144  0.18033300  0.89608444  1.0
  Lu  Lu8  1  0.61947820  0.31154979  0.30792842  1.0
  Lu  Lu9  1  0.38052180  0.68845021  0.69207158  1.0
  Lu  Lu10  1  0.00362237  0.31154979  0.69207158  1.0
  Lu  Lu11  1  0.99637763  0.68845021  0.30792842  1.0
  Co  Co12  1  0.00000000  0.37930391  0.37930391  1.0
  Co  Co13  1  1.00000000  0.62069609  0.62069609  1.0
  Co  Co14  1  0.38892099  0.88892099  0.50000000  1.0
  Co  Co15  1  0.61107901  0.11107901  0.50000000  1.0
  Co  Co16  1  0.00000000  0.00000000  0.00000000  1.0
  Bi  Bi17  1  0.50000000  0.50000000  0.00000000  1.0
Get direct link