Ho(BeB14)2

高熵材料 HEA 传统材料 TRA

MP-ID: mp-3292901 · Space group: Cm (#8)

Materials Project API

Basic Information

Formula

Ho(BeB14)2

MP-ID

mp-3292901

Elements

Sites

Density

3.3445

g/cm³

Volume

241.13

Å³

Cell a

7.1674

Cell b

7.1674

Cell c

5.7221

α Angle

66.62

β Angle

66.62

γ Angle

91.98

Space Group

Point Group

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
13.82	6.4055	62.3	(1,0,0)
13.82	6.4055	62.3	(0,1,0)
17.20	5.1548	17.5	(1,-1,0)
17.73	5.0031	100.0	(1,0,1)
18.90	4.6966	36.3	(0,0,1)
18.97	4.6791	26.8	(1,1,1)
21.74	4.0875	31.3	(1,1,0)
25.66	3.4717	28.0	(1,-1,-1)
25.66	3.4717	28.0	(1,-1,1)
25.71	3.4646	44.8	(2,0,1)
27.86	3.2028	34.1	(2,0,0)
28.14	3.1708	8.5	(1,0,-1)
28.14	3.1708	8.5	(0,1,-1)
28.17	3.1680	31.4	(2,-1,0)
28.24	3.1600	25.0	(2,1,1)
30.34	2.9461	27.5	(2,-1,1)
31.26	2.8610	12.2	(1,1,2)
34.03	2.6345	10.9	(2,1,0)
34.03	2.6345	10.9	(1,2,0)
34.29	2.6154	7.9	(0,1,2)
34.29	2.6154	7.9	(1,0,2)
34.37	2.6093	18.2	(2,1,2)
34.81	2.5774	3.4	(2,-2,0)
35.90	2.5016	34.2	(2,0,2)

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Energy Properties

Formation Energy/atom

-0.15866

eV/atom

Energy/atom

-8.13463

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-8.1346

eV/atom

Volume/atom

7.78

Å³

c/a Ratio

0.7984

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0004

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

B · 0.903

Element Family

Metalloid-Nonmetal

Solute Fraction

0.097

Interstitial Fraction

0.903

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.3795

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

3.1555

J/mol·K

Ω Parameter

1.4641

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

16.690%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.1795

smaller = more stable mixing

VEC

3.194

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-4.910

kJ/mol; negative = exothermic mixing

Entropy Norm

0.3455

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfjeb

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3292901

Reference Citation

The crystal structure and related material properties of Ho(BeB14)2 were obtained from the Materials Project database (MP-ID: mp-3292901, 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

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Raw CIF Data

# generated using pymatgen
data_Ho(BeB14)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.16742083
_cell_length_b   7.16742061
_cell_length_c   5.72212246
_cell_angle_alpha   66.61546955
_cell_angle_beta   66.61548563
_cell_angle_gamma   91.97664367
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho(BeB14)2
_chemical_formula_sum   'Ho1 Be2 B28'
_cell_volume   241.13101476
_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  0.88332900  0.88332900  0.37181096  1.0
  Be  Be1  1  0.51857531  0.51857531  0.46756136  1.0
  Be  Be2  1  0.24426089  0.24426089  0.31321402  1.0
  B  B3  1  0.41685132  0.73276707  0.18228832  1.0
  B  B4  1  0.57894910  0.25572298  0.83630404  1.0
  B  B5  1  0.25572298  0.57894910  0.83630404  1.0
  B  B6  1  0.73276707  0.41685132  0.18228832  1.0
  B  B7  1  0.69311732  0.85895954  0.98022728  1.0
  B  B8  1  0.30212597  0.12985976  0.03959340  1.0
  B  B9  1  0.12985976  0.30212597  0.03959340  1.0
  B  B10  1  0.85895954  0.69311732  0.98022728  1.0
  B  B11  1  0.52889003  0.86889898  0.30872890  1.0
  B  B12  1  0.46701406  0.11895516  0.21844083  1.0
  B  B13  1  0.11895516  0.46701406  0.21844083  1.0
  B  B14  1  0.86889898  0.52889003  0.30872890  1.0
  B  B15  1  0.46053730  0.11743820  0.71678153  1.0
  B  B16  1  0.52939020  0.86657031  0.80443083  1.0
  B  B17  1  0.86657031  0.52939020  0.80443083  1.0
  B  B18  1  0.11743820  0.46053730  0.71678153  1.0
  B  B19  1  0.72005577  0.09771357  0.00755565  1.0
  B  B20  1  0.27466484  0.89019762  0.33539446  1.0
  B  B21  1  0.89019762  0.27466484  0.33539446  1.0
  B  B22  1  0.09771357  0.72005577  0.00755565  1.0
  B  B23  1  0.27384267  0.89077382  0.01432866  1.0
  B  B24  1  0.71760712  0.09639053  0.68967391  1.0
  B  B25  1  0.09639053  0.71760712  0.68967391  1.0
  B  B26  1  0.89077382  0.27384267  0.01432866  1.0
  B  B27  1  0.28308114  0.46576809  0.38848354  1.0
  B  B28  1  0.69945562  0.51823671  0.65147499  1.0
  B  B29  1  0.51823671  0.69945562  0.65147499  1.0
  B  B30  1  0.46576809  0.28308114  0.38848354  1.0

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