Ho10Ga3SiBi4

高熵材料 HEA

MP-ID: mp-3295910 · Space group: Cm (#8)

Materials Project API

Basic Information

Formula

Ho10Ga3SiBi4

MP-ID

mp-3295910

Elements

Sites

Density

9.3409

g/cm³

Volume

483.98

Å³

Cell a

8.6283

Cell b

8.6283

Cell c

7.9558

α Angle

89.35

β Angle

89.35

γ Angle

125.18

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
11.12	7.9534	1.1	(0,0,1)
11.55	7.6595	4.0	(1,-1,0)
12.55	7.0509	1.4	(1,0,0)
16.62	5.3342	11.9	(1,0,1)
16.99	5.2198	9.0	(1,0,-1)
16.99	5.2198	9.0	(0,1,-1)
22.36	3.9767	25.1	(0,0,2)
22.39	3.9711	24.4	(1,1,0)
23.23	3.8298	10.9	(2,-2,0)
23.41	3.8005	3.6	(2,-1,1)
23.41	3.8005	3.6	(1,-2,-1)
23.67	3.7585	2.8	(2,-1,-1)
24.81	3.5883	49.9	(1,1,1)
25.23	3.5294	25.4	(1,-1,2)
25.26	3.5255	25.7	(2,0,0)
25.31	3.5185	49.9	(1,1,-1)
25.47	3.4966	38.2	(1,0,2)
25.96	3.4319	39.8	(1,0,-2)
27.45	3.2494	2.1	(2,0,1)
27.45	3.2494	2.1	(0,2,1)
27.91	3.1973	2.9	(2,0,-1)
30.43	2.9376	74.1	(2,-1,2)
30.85	2.8989	66.7	(2,-1,-2)
31.44	2.8452	100.0	(1,1,2)

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Energy Properties

Formation Energy/atom

-0.86664

eV/atom

Energy/atom

-34.52912

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-34.5291

eV/atom

Volume/atom

26.89

Å³

c/a Ratio

0.9221

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.8900

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.001840

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ho · 0.556

Element Family

Lanthanide

Solute Fraction

0.444

Interstitial Fraction

0.056

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.1200

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.3116

J/mol·K

Ω Parameter

5.9659

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

11.207%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3520

smaller = more stable mixing

VEC

7.944

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-1.918

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8079

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfnpu

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3295910

Reference Citation

The crystal structure and related material properties of Ho10Ga3SiBi4 were obtained from the Materials Project database (MP-ID: mp-3295910, 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_Ho10Ga3SiBi4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.62829630
_cell_length_b   8.62829541
_cell_length_c   7.95576379
_cell_angle_alpha   89.35142067
_cell_angle_beta   89.35141724
_cell_angle_gamma   125.17647105
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho10Ga3SiBi4
_chemical_formula_sum   'Ho10 Ga3 Si1 Bi4'
_cell_volume   483.97781033
_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  0.04416036  0.28947688  0.33295759  1.0
  Ho  Ho1  1  0.95619032  0.71172043  0.66554454  1.0
  Ho  Ho2  1  0.46070737  0.20789299  0.83506112  1.0
  Ho  Ho3  1  0.78920643  0.54031878  0.16515420  1.0
  Ho  Ho4  1  0.54031878  0.78920643  0.16515420  1.0
  Ho  Ho5  1  0.20789299  0.46070737  0.83506112  1.0
  Ho  Ho6  1  0.71172043  0.95619032  0.66554454  1.0
  Ho  Ho7  1  0.28947688  0.04416036  0.33295759  1.0
  Ho  Ho8  1  0.99958349  0.99958349  0.99960731  1.0
  Ho  Ho9  1  0.49932037  0.49932037  0.50032346  1.0
  Ga  Ga10  1  0.37243167  0.37243167  0.12553268  1.0
  Ga  Ga11  1  0.62673980  0.62673980  0.87326250  1.0
  Ga  Ga12  1  0.13758686  0.13758686  0.63639204  1.0
  Si  Si13  1  0.86385345  0.86385345  0.36419042  1.0
  Bi  Bi14  1  0.79153596  0.20491643  0.00149902  1.0
  Bi  Bi15  1  0.20491643  0.79153596  0.00149902  1.0
  Bi  Bi16  1  0.70923778  0.29512062  0.50012833  1.0
  Bi  Bi17  1  0.29512062  0.70923778  0.50012833  1.0

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