Ho8Ga(Si5Mo4)3

High-Entropy Materials HEA

MP-ID: mp-3294540 · Space group: P1 (#1)

Materials Project API

Basic Information

Formula

Ho8Ga(Si5Mo4)3

MP-ID

mp-3294540

Elements

Sites

Density

8.1785

g/cm³

Volume

601.34

Å³

Cell a

6.7212

Cell b

6.9215

Cell c

12.9263

α Angle

90.15

β Angle

89.98

γ Angle

90.03

Space Group

Point Group

Crystal System

Triclinic

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
6.84	12.9263	1.7	(0,0,1)
13.70	6.4631	2.3	(0,0,2)
14.50	6.1084	7.8	(0,1,-1)
14.53	6.0951	2.5	(0,1,1)
18.40	4.8230	5.2	(1,-1,0)
18.40	4.8207	4.4	(1,1,0)
19.64	4.5191	1.4	(1,1,-1)
19.66	4.5157	1.1	(1,-1,-1)
22.99	3.8692	10.9	(1,-1,2)
23.00	3.8671	7.7	(1,1,-2)
23.03	3.8616	8.6	(1,-1,-2)
23.03	3.8612	9.3	(1,1,2)
24.30	3.6622	39.8	(0,1,-3)
24.36	3.6536	31.1	(0,1,3)
25.74	3.4607	18.5	(0,2,0)
26.52	3.3606	30.1	(2,0,0)
27.60	3.2316	77.6	(0,0,4)
27.73	3.2165	8.6	(1,-1,3)
27.75	3.2151	6.6	(1,1,-3)
27.79	3.2100	9.7	(1,1,3)
27.79	3.2100	8.0	(1,-1,-3)
29.02	3.0774	11.0	(1,-2,0)
29.03	3.0762	9.7	(1,2,0)
29.24	3.0542	12.7	(0,2,-2)

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Energy Properties

Formation Energy/atom

-0.69538

eV/atom

Energy/atom

-20.66659

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-20.6666

eV/atom

Volume/atom

16.70

Å³

c/a Ratio

1.9232

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.4161

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000690

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Si · 0.417

Element Family

Metalloid-Nonmetal

Solute Fraction

0.583

Interstitial Fraction

0.417

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.1648

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.6839

J/mol·K

Ω Parameter

1.1888

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

16.048%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3440

smaller = more stable mixing

VEC

6.194

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-16.797

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8402

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahflpc

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3294540

Reference Citation

The crystal structure and related material properties of Ho8Ga(Si5Mo4)3 were obtained from the Materials Project database (MP-ID: mp-3294540, 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_Ho8Ga(Si5Mo4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.72121157
_cell_length_b   6.92144982
_cell_length_c   12.92632824
_cell_angle_alpha   90.14992686
_cell_angle_beta   89.98179319
_cell_angle_gamma   90.02817531
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho8Ga(Si5Mo4)3
_chemical_formula_sum   'Ho8 Ga1 Si15 Mo12'
_cell_volume   601.33746061
_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  0.99881674  0.16847353  0.09465173  1.0
  Ho  Ho1  1  0.00123852  0.83211359  0.90592811  1.0
  Ho  Ho2  1  0.50053685  0.66741322  0.90578832  1.0
  Ho  Ho3  1  0.00242754  0.83195403  0.59423594  1.0
  Ho  Ho4  1  0.49787964  0.33248670  0.09432977  1.0
  Ho  Ho5  1  0.99772668  0.16759057  0.40501298  1.0
  Ho  Ho6  1  0.49966075  0.33299633  0.40473515  1.0
  Ho  Ho7  1  0.50482808  0.66775581  0.59485510  1.0
  Ga  Ga8  1  0.16440019  0.45771660  0.54531922  1.0
  Si  Si9  1  0.03574375  0.13546273  0.74908909  1.0
  Si  Si10  1  0.96344552  0.86702616  0.24865386  1.0
  Si  Si11  1  0.46400244  0.63580177  0.24943070  1.0
  Si  Si12  1  0.53388762  0.36503163  0.75054111  1.0
  Si  Si13  1  0.30185010  0.87067413  0.75046556  1.0
  Si  Si14  1  0.69787888  0.12753608  0.24970004  1.0
  Si  Si15  1  0.19770911  0.37485004  0.25016439  1.0
  Si  Si16  1  0.80394700  0.62615734  0.75022065  1.0
  Si  Si17  1  0.84152252  0.54294899  0.45298362  1.0
  Si  Si18  1  0.34104056  0.95840705  0.45398911  1.0
  Si  Si19  1  0.84055204  0.54169431  0.04633042  1.0
  Si  Si20  1  0.65979034  0.04131637  0.54609705  1.0
  Si  Si21  1  0.15847932  0.45730301  0.95431417  1.0
  Si  Si22  1  0.65821469  0.04104623  0.95371587  1.0
  Si  Si23  1  0.34037658  0.95819326  0.04659588  1.0
  Mo  Mo24  1  0.16521399  0.49893001  0.75322501  1.0
  Mo  Mo25  1  0.83444476  0.50038767  0.24952886  1.0
  Mo  Mo26  1  0.33442949  0.00244748  0.24950802  1.0
  Mo  Mo27  1  0.66651225  0.99835732  0.75052801  1.0
  Mo  Mo28  1  0.33546733  0.16048790  0.62725819  1.0
  Mo  Mo29  1  0.66887106  0.83361884  0.37486156  1.0
  Mo  Mo30  1  0.16702247  0.67353689  0.37123583  1.0
  Mo  Mo31  1  0.66811536  0.83312646  0.12458375  1.0
  Mo  Mo32  1  0.82495897  0.33226270  0.62619009  1.0
  Mo  Mo33  1  0.33072646  0.16589090  0.87651740  1.0
  Mo  Mo34  1  0.82958718  0.33194708  0.87593726  1.0
  Mo  Mo35  1  0.16869919  0.66705525  0.12348117  1.0

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