HoBe12Ni

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3296280 · Space group: C2/m (#12)

Materials Project API

Basic Information

Formula

HoBe12Ni

MP-ID

mp-3296280

Elements

Sites

Density

4.1094

g/cm³

Volume

268.13

Å³

Cell a

7.2468

Cell b

7.3060

Cell c

7.2202

α Angle

59.85

β Angle

59.60

γ Angle

59.49

Space Group

C2/m

Point Group

2/m

Crystal System

Monoclinic

Bravais Lattice

Stability

Yes

Packing Fraction

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å

Diffraction Peaks (Top 24)

2θ	d (Å)	I	hkl
14.91	5.9412	28.3	(1,1,1)
15.07	5.8783	3.8	(1,0,0)
17.24	5.1434	100.0	(1,1,0)
17.37	5.1058	57.9	(0,1,1)
17.37	5.1044	20.1	(1,0,1)
24.37	3.6529	57.1	(1,2,1)
24.57	3.6231	38.4	(2,1,1)
24.66	3.6099	34.5	(1,1,2)
24.66	3.6099	34.5	(1,-1,0)
24.77	3.5949	15.5	(1,0,-1)
28.70	3.1110	5.5	(2,2,1)
28.95	3.0847	4.7	(2,1,2)
28.95	3.0839	1.8	(2,1,0)
29.11	3.0676	5.7	(0,1,2)
30.08	2.9706	24.1	(2,2,2)
30.41	2.9392	73.3	(2,0,0)
34.89	2.5717	13.1	(2,2,0)
35.15	2.5529	6.3	(0,2,2)
35.16	2.5522	27.9	(2,0,2)
38.19	2.3565	1.8	(3,2,2)
38.39	2.3446	1.3	(3,1,1)
38.52	2.3374	3.3	(1,1,3)
38.59	2.3332	1.8	(2,0,-1)
38.96	2.3117	22.2	(2,3,1)

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Energy Properties

Formation Energy/atom

-0.25765

eV/atom

Energy/atom

-7.18041

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-7.1804

eV/atom

Volume/atom

9.58

Å³

c/a Ratio

0.9963

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0002

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

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

0.5091

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

4.2330

J/mol·K

Ω Parameter

1.3693

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

13.873%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.1285

smaller = more stable mixing

VEC

3.214

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-4.898

kJ/mol; negative = exothermic mixing

Entropy Norm

0.4634

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.661

Family

Be-rich Multi-Component

Matrix Element

Be · 0.857

Related Tasks

Related computation task IDs (1)

aaahfoea

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3296280

Reference Citation

The crystal structure and related material properties of HoBe12Ni were obtained from the Materials Project database (MP-ID: mp-3296280, 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

3D Crystal Structure Rendering

Loading 3D structure…

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Raw CIF Data

# generated using pymatgen
data_HoBe12Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.24680636
_cell_length_b   7.30596891
_cell_length_c   7.22016483
_cell_angle_alpha   59.84846115
_cell_angle_beta   59.60248265
_cell_angle_gamma   59.48779838
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HoBe12Ni
_chemical_formula_sum   'Ho2 Be24 Ni2'
_cell_volume   268.12819583
_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
  Ho  Ho0  1  0.24818110  0.25181890  0.24818110  1.0
  Ho  Ho1  1  0.75181890  0.74818110  0.75181890  1.0
  Be  Be2  1  0.50000000  0.50000000  0.50000000  1.0
  Be  Be3  1  0.00000000  0.00000000  0.00000000  1.0
  Be  Be4  1  0.56906099  0.78766237  0.43093901  1.0
  Be  Be5  1  0.43093901  0.21233763  0.56906099  1.0
  Be  Be6  1  0.29525562  0.93651409  0.70474438  1.0
  Be  Be7  1  0.70474438  0.06348591  0.29525562  1.0
  Be  Be8  1  0.93359257  0.28614699  0.06640743  1.0
  Be  Be9  1  0.06640743  0.71385301  0.93359257  1.0
  Be  Be10  1  0.20489809  0.79602340  0.56194587  1.0
  Be  Be11  1  0.79510191  0.20397660  0.43805413  1.0
  Be  Be12  1  0.43805413  0.56286736  0.79510191  1.0
  Be  Be13  1  0.56194587  0.43713264  0.20489809  1.0
  Be  Be14  1  0.71087049  0.28320848  0.93647314  1.0
  Be  Be15  1  0.28912951  0.71679152  0.06352686  1.0
  Be  Be16  1  0.06352686  0.93055210  0.28912951  1.0
  Be  Be17  1  0.93647314  0.06944790  0.71087049  1.0
  Be  Be18  1  0.56089227  0.20633485  0.79577397  1.0
  Be  Be19  1  0.43910773  0.79366515  0.20422603  1.0
  Be  Be20  1  0.79577397  0.43699891  0.56089227  1.0
  Be  Be21  1  0.20422603  0.56300109  0.43910773  1.0
  Be  Be22  1  0.93680082  0.71088281  0.28828231  1.0
  Be  Be23  1  0.06319918  0.28911719  0.71171769  1.0
  Be  Be24  1  0.28828231  0.06403406  0.93680082  1.0
  Be  Be25  1  0.71171769  0.93596594  0.06319918  1.0
  Ni  Ni26  1  0.79961725  0.55833001  0.20038275  1.0
  Ni  Ni27  1  0.20038275  0.44166999  0.79961725  1.0

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