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Ho2Be25Ni

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3297559 · Space group: Cm (#8)

Basic Information

Formula
Ho2Be25Ni
MP-ID
mp-3297559
Elements
3
Sites
28
Density
3.8311
g/cm³
Volume
266.07
ų
Cell a
7.2005
Å
Cell b
7.2239
Å
Cell c
7.2080
Å
α Angle
60.34
°
β Angle
60.18
°
γ Angle
59.96
°
Space Group
Cm
Point Group
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
14.99 5.9088 5.0 (0,1,0)
14.99 5.9088 5.0 (0,0,1)
15.07 5.8804 4.9 (1,0,0)
15.07 5.8804 4.9 (1,1,1)
17.32 5.1211 100.0 (1,1,0)
17.39 5.0986 77.3 (1,0,1)
17.41 5.0949 46.6 (0,1,1)
24.55 3.6263 55.8 (0,1,-1)
24.65 3.6119 33.1 (1,0,-1)
24.65 3.6119 33.1 (1,2,1)
24.70 3.6040 43.8 (1,-1,0)
24.70 3.6040 43.8 (1,1,2)
24.73 3.6002 29.8 (2,1,1)
28.88 3.0916 1.1 (1,1,-1)
28.88 3.0916 1.1 (1,2,0)
30.25 2.9544 21.1 (0,2,0)
30.25 2.9544 21.1 (0,0,2)
30.40 2.9402 36.3 (2,0,0)
30.40 2.9402 36.3 (2,2,2)
35.04 2.5606 18.0 (2,2,0)
35.20 2.5493 12.6 (2,0,2)
35.23 2.5475 25.9 (0,2,2)
39.26 2.2949 20.7 (1,2,-1)
39.37 2.2888 11.6 (1,-1,2)
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Energy Properties

Formation Energy/atom
-0.23500
eV/atom
Energy/atom
-6.88477
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-6.8848
eV/atom
Volume/atom
9.50
ų
c/a Ratio
-

Electronic Properties

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

Magnetic Properties

Magnetic
No
Total Mag. Moment
0.0003
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Be · 0.893
Element Family
Alkali-AlkEarth
Solute Fraction
0.107
Interstitial Fraction
0.000

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.4087
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
3.3979
J/mol·K
Ω Parameter
2.1024
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
13.905%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.1106
smaller = more stable mixing
VEC
2.929
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-2.551
kJ/mol; negative = exothermic mixing
Entropy Norm
0.3720
SS Former
0
Phase Tendency
IM

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.638
Family
Be-rich Multi-Component
Matrix Element
Be · 0.893

Related Tasks

Related computation task IDs (1)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-3297559
Reference Citation

The crystal structure and related material properties of Ho2Be25Ni were obtained from the Materials Project database (MP-ID: mp-3297559, 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_Ho2Be25Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.20046351
_cell_length_b   7.22391843
_cell_length_c   7.20800054
_cell_angle_alpha   60.33748674
_cell_angle_beta   60.18098322
_cell_angle_gamma   59.96151888
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho2Be25Ni
_chemical_formula_sum   'Ho2 Be25 Ni1'
_cell_volume   266.06924812
_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
  Ho  Ho0  1  0.74999201  0.75110576  0.74703306  1.0
  Ho  Ho1  1  0.24812883  0.25296894  0.24889524  1.0
  Be  Be2  1  0.56641492  0.78855926  0.21144274  1.0
  Be  Be3  1  0.20386781  0.43921190  0.56079010  1.0
  Be  Be4  1  0.43560842  0.20932591  0.79067109  1.0
  Be  Be5  1  0.43824214  0.78999214  0.56366902  1.0
  Be  Be6  1  0.56253758  0.43633968  0.79257673  1.0
  Be  Be7  1  0.79190429  0.43632698  0.21000986  1.0
  Be  Be8  1  0.79145599  0.20742327  0.56365932  1.0
  Be  Be9  1  0.20822525  0.56331531  0.78995139  1.0
  Be  Be10  1  0.43844579  0.56332557  0.20526631  1.0
  Be  Be11  1  0.56149395  0.21005061  0.43668569  1.0
  Be  Be12  1  0.20703666  0.79473269  0.43667543  1.0
  Be  Be13  1  0.93701044  0.70993409  0.06389573  1.0
  Be  Be14  1  0.71083826  0.93610427  0.29006691  1.0
  Be  Be15  1  0.06324111  0.28922038  0.93719482  1.0
  Be  Be16  1  0.28965831  0.06280618  0.71077962  1.0
  Be  Be17  1  0.70660797  0.06304599  0.93695301  1.0
  Be  Be18  1  0.06374853  0.93394628  0.71278742  1.0
  Be  Be19  1  0.06510127  0.71294541  0.28705359  1.0
  Be  Be20  1  0.28901029  0.71148362  0.93628426  1.0
  Be  Be21  1  0.93503585  0.28891087  0.71109113  1.0
  Be  Be22  1  0.93677916  0.06371774  0.28851338  1.0
  Be  Be23  1  0.29134864  0.93604501  0.06395399  1.0
  Be  Be24  1  0.71048323  0.28721258  0.06605372  1.0
  Be  Be25  1  0.50106274  0.50045975  0.49953925  1.0
  Be  Be26  1  0.99951212  0.00121413  0.99878487  1.0
  Ni  Ni27  1  0.79720843  0.56027868  0.43972332  1.0
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