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CeHo(Be12Ni)2

High-Entropy Materials HEA

MP-ID: mp-3291619 · Space group: C2 (#5)

Basic Information

Formula
CeHo(Be12Ni)2
MP-ID
mp-3291619
Elements
4
Sites
28
Density
3.9085
g/cm³
Volume
271.37
ų
Cell a
7.2722
Å
Cell b
7.3304
Å
Cell c
7.2511
Å
α Angle
59.83
°
β Angle
59.68
°
γ Angle
59.55
°
Space Group
C2
Point Group
2
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
14.86 5.9618 16.9 (0,1,0)
14.86 5.9615 16.9 (1,1,1)
15.00 5.9053 2.8 (1,0,0)
15.00 5.9052 2.8 (0,0,1)
17.18 5.1610 100.0 (1,1,0)
17.28 5.1313 55.8 (0,1,1)
17.31 5.1230 16.9 (1,0,1)
24.28 3.6651 58.1 (1,2,1)
24.48 3.6359 18.0 (0,1,-1)
24.48 3.6358 18.0 (2,1,1)
24.55 3.6255 34.2 (1,-1,0)
24.56 3.6254 34.2 (1,1,2)
24.64 3.6131 14.2 (1,0,-1)
28.60 3.1207 3.3 (1,2,0)
28.60 3.1207 3.3 (2,2,1)
28.83 3.0964 1.2 (1,1,-1)
28.83 3.0964 1.2 (2,1,0)
28.84 3.0958 2.8 (1,-1,1)
28.84 3.0957 2.8 (2,1,2)
28.96 3.0835 3.4 (1,-1,-1)
28.96 3.0835 3.4 (0,1,2)
29.98 2.9809 11.2 (0,2,0)
29.98 2.9808 11.2 (2,2,2)
30.27 2.9526 37.7 (2,0,0)
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Energy Properties

Formation Energy/atom
-0.23800
eV/atom
Energy/atom
-7.08788
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-7.0879
eV/atom
Volume/atom
9.69
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
0.0887
μB
Mag. Ordering
FM
Mag. Sites
1
Magnetization/Volume
0.000330
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Be · 0.857
Element Family
Alkali-AlkEarth
Solute Fraction
0.143
Interstitial Fraction
0.000

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.5586
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
4.6446
J/mol·K
Ω Parameter
1.6645
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
14.950%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.1400
smaller = more stable mixing
VEC
2.929
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-4.355
kJ/mol; negative = exothermic mixing
Entropy Norm
0.4030
SS Former
0
Phase Tendency
IM

Related Tasks

Related computation task IDs (1)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-3291619
Reference Citation

The crystal structure and related material properties of CeHo(Be12Ni)2 were obtained from the Materials Project database (MP-ID: mp-3291619, 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_CeHo(Be12Ni)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.27221386
_cell_length_b   7.33039717
_cell_length_c   7.25107445
_cell_angle_alpha   59.83040872
_cell_angle_beta   59.67773103
_cell_angle_gamma   59.54626719
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CeHo(Be12Ni)2
_chemical_formula_sum   'Ce1 Ho1 Be24 Ni2'
_cell_volume   271.36586918
_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
  Ce  Ce0  1  0.99746915  0.00253910  0.99746998  1.0
  Ho  Ho1  1  0.50166078  0.49834147  0.50166390  1.0
  Be  Be2  1  0.31854704  0.53756613  0.18150479  1.0
  Be  Be3  1  0.18152099  0.96236209  0.31858315  1.0
  Be  Be4  1  0.04557602  0.68666133  0.45476431  1.0
  Be  Be5  1  0.45477728  0.81299268  0.04560039  1.0
  Be  Be6  1  0.68348902  0.03624338  0.81589944  1.0
  Be  Be7  1  0.81588361  0.46438089  0.68345451  1.0
  Be  Be8  1  0.95541390  0.54507565  0.31210058  1.0
  Be  Be9  1  0.54354623  0.95387681  0.18898529  1.0
  Be  Be10  1  0.18897218  0.31362126  0.54355331  1.0
  Be  Be11  1  0.31213123  0.18745113  0.95532961  1.0
  Be  Be12  1  0.46109877  0.03301504  0.68701096  1.0
  Be  Be13  1  0.03880517  0.46656675  0.81314711  1.0
  Be  Be14  1  0.81313774  0.68141120  0.03884856  1.0
  Be  Be15  1  0.68698040  0.81890635  0.46107763  1.0
  Be  Be16  1  0.31148003  0.95630449  0.54486040  1.0
  Be  Be17  1  0.18904237  0.54344852  0.95450372  1.0
  Be  Be18  1  0.54489504  0.18733840  0.31150278  1.0
  Be  Be19  1  0.95450082  0.31300538  0.18900082  1.0
  Be  Be20  1  0.68707606  0.46124029  0.03830603  1.0
  Be  Be21  1  0.81305225  0.03922148  0.46199712  1.0
  Be  Be22  1  0.03830469  0.81333277  0.68710883  1.0
  Be  Be23  1  0.46194478  0.68580869  0.81302442  1.0
  Be  Be24  1  0.24998173  0.25001750  0.24998286  1.0
  Be  Be25  1  0.74979866  0.75017801  0.74980860  1.0
  Ni  Ni26  1  0.54961444  0.30778854  0.95129309  1.0
  Ni  Ni27  1  0.95129663  0.19130468  0.54961882  1.0
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