YbHo7(B6Ru)4

高熵材料 HEA

MP-ID: mp-3293147 · Space group: Pm (#6)

Materials Project API

Basic Information

Formula

YbHo7(B6Ru)4

MP-ID

mp-3293147

Elements

Sites

Density

8.6981

g/cm³

Volume

380.15

Å³

Cell a

3.6387

Cell b

9.1029

Cell c

11.4773

α Angle

89.91

β Angle

90.00

γ Angle

90.00

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
20.99	4.2331	2.0	(0,2,1)
21.01	4.2287	1.9	(0,2,-1)
24.46	3.6387	100.0	(1,0,0)
24.95	3.5686	1.3	(0,2,2)
25.24	3.5288	1.1	(0,1,3)
25.27	3.5250	1.3	(0,1,-3)
30.46	2.9346	19.8	(0,3,1)
30.48	2.9324	19.0	(0,3,-1)
30.50	2.9308	18.1	(0,2,3)
30.55	2.9264	18.4	(0,2,-3)
31.17	2.8693	26.0	(0,0,4)
32.45	2.7594	2.3	(1,2,1)
32.46	2.7582	2.3	(1,2,-1)
32.71	2.7378	13.0	(0,1,4)
32.74	2.7354	12.9	(0,1,-4)
33.38	2.6841	13.0	(0,3,2)
33.43	2.6807	13.1	(0,3,-2)
35.23	2.5478	1.3	(1,2,2)
35.44	2.5332	1.2	(1,1,3)
35.46	2.5318	1.5	(1,1,-3)
37.01	2.4289	1.0	(0,2,4)
37.82	2.3791	4.5	(0,3,3)
37.87	2.3756	4.9	(0,3,-3)
39.45	2.2843	24.2	(1,3,1)

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Energy Properties

Formation Energy/atom

-0.76225

eV/atom

Energy/atom

-15.89307

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-15.8931

eV/atom

Volume/atom

10.56

Å³

c/a Ratio

3.1542

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 · 0.667

Element Family

Metalloid-Nonmetal

Solute Fraction

0.333

Interstitial Fraction

0.667

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9324

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.7521

J/mol·K

Ω Parameter

4.8065

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

31.140%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3570

smaller = more stable mixing

VEC

5.417

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-3.586

kJ/mol; negative = exothermic mixing

Entropy Norm

0.6726

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfjnn

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3293147

Reference Citation

The crystal structure and related material properties of YbHo7(B6Ru)4 were obtained from the Materials Project database (MP-ID: mp-3293147, 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_YbHo7(B6Ru)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.63867541
_cell_length_b   9.10287809
_cell_length_c   11.47724745
_cell_angle_alpha   89.91378341
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YbHo7(B6Ru)4
_chemical_formula_sum   'Yb1 Ho7 B24 Ru4'
_cell_volume   380.15376473
_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
  Yb  Yb0  1  0.00000000  0.32367168  0.41378160  1.0
  Ho  Ho1  1  0.00000000  0.67564414  0.58474966  1.0
  Ho  Ho2  1  0.00000000  0.82235916  0.08616294  1.0
  Ho  Ho3  1  0.00000000  0.17822247  0.91480136  1.0
  Ho  Ho4  1  0.00000000  0.94380149  0.37068832  1.0
  Ho  Ho5  1  0.00000000  0.05834731  0.62841266  1.0
  Ho  Ho6  1  0.00000000  0.44283377  0.12966168  1.0
  Ho  Ho7  1  0.00000000  0.55613589  0.87216713  1.0
  B  B8  1  0.50000000  0.55393551  0.43263667  1.0
  B  B9  1  0.50000000  0.44562647  0.56721106  1.0
  B  B10  1  0.50000000  0.05335442  0.06664522  1.0
  B  B11  1  0.50000000  0.94595921  0.93251036  1.0
  B  B12  1  0.50000000  0.74789064  0.41923344  1.0
  B  B13  1  0.50000000  0.25277577  0.58087803  1.0
  B  B14  1  0.50000000  0.24726926  0.08060228  1.0
  B  B15  1  0.50000000  0.75213886  0.91956500  1.0
  B  B16  1  0.50000000  0.79094520  0.26594415  1.0
  B  B17  1  0.50000000  0.21007081  0.73417016  1.0
  B  B18  1  0.50000000  0.28957988  0.23388172  1.0
  B  B19  1  0.50000000  0.70954358  0.76607576  1.0
  B  B20  1  0.50000000  0.63182273  0.18586238  1.0
  B  B21  1  0.50000000  0.36856692  0.81511027  1.0
  B  B22  1  0.50000000  0.13114202  0.31387854  1.0
  B  B23  1  0.50000000  0.86875208  0.68528424  1.0
  B  B24  1  0.50000000  0.98314912  0.21176868  1.0
  B  B25  1  0.50000000  0.01679213  0.78740031  1.0
  B  B26  1  0.50000000  0.48385390  0.28800740  1.0
  B  B27  1  0.50000000  0.51637569  0.71250733  1.0
  B  B28  1  0.50000000  0.60835922  0.03028483  1.0
  B  B29  1  0.50000000  0.39174100  0.97043850  1.0
  B  B30  1  0.50000000  0.10422944  0.47098860  1.0
  B  B31  1  0.50000000  0.89485096  0.52912124  1.0
  Ru  Ru32  1  0.00000000  0.63917080  0.32073968  1.0
  Ru  Ru33  1  0.00000000  0.36216167  0.68011282  1.0
  Ru  Ru34  1  0.00000000  0.13656322  0.17786495  1.0
  Ru  Ru35  1  0.00000000  0.86236657  0.82085104  1.0

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