Ho3U(Si5Os3)2

High-Entropy Materials HEA

MP-ID: mp-3295963 · Space group: P1 (#1)

Materials Project API

Basic Information

Formula

Ho3U(Si5Os3)2

MP-ID

mp-3295963

Elements

Sites

Density

10.8906

g/cm³

Volume

328.59

Å³

Cell a

8.0884

Cell b

8.0776

Cell c

5.7689

α Angle

70.61

β Angle

70.68

γ Angle

94.00

Space Group

Point Group

Crystal System

Triclinic

Bravais Lattice

Stability

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
11.84	7.4758	4.5	(1,0,0)
11.86	7.4625	1.5	(0,1,0)
14.99	5.9114	5.3	(1,-1,0)
17.11	5.1816	1.2	(0,1,1)
17.12	5.1800	5.5	(1,0,1)
17.59	5.0417	1.2	(0,0,1)
23.17	3.8385	2.3	(1,-1,-1)
23.20	3.8335	1.7	(1,-1,1)
23.71	3.7534	10.1	(2,0,1)
23.72	3.7513	8.7	(0,2,1)
23.80	3.7379	17.1	(2,0,0)
23.85	3.7313	14.5	(0,2,0)
24.39	3.6500	88.7	(2,-1,0)
24.42	3.6453	93.0	(1,-2,0)
24.74	3.5991	30.3	(1,0,-1)
24.76	3.5955	20.3	(0,1,-1)
25.72	3.4637	14.6	(2,1,1)
25.74	3.4616	8.9	(1,2,1)
28.79	3.1009	28.5	(2,1,0)
28.82	3.0981	21.9	(1,2,0)
30.24	2.9557	67.6	(2,-2,0)
31.03	2.8818	67.0	(1,1,2)
32.88	2.7243	3.4	(1,-2,1)
32.94	2.7195	20.1	(0,1,2)

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Energy Properties

Formation Energy/atom

-0.74140

eV/atom

Energy/atom

-29.95315

eV/atom

Energy above Hull

0.0133

eV/atom

Uncorrected Energy

-29.9532

eV/atom

Volume/atom

16.43

Å³

c/a Ratio

0.7132

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.2110

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000640

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Si · 0.500

Element Family

Metalloid-Nonmetal

Solute Fraction

0.500

Interstitial Fraction

0.500

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.1421

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.4956

J/mol·K

Ω Parameter

11.3621

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

16.367%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3264

smaller = more stable mixing

VEC

6.368

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-1.810

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8239

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfnrv

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3295963

Reference Citation

The crystal structure and related material properties of Ho3U(Si5Os3)2 were obtained from the Materials Project database (MP-ID: mp-3295963, 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_Ho3U(Si5Os3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.08836621
_cell_length_b   8.07754515
_cell_length_c   5.76886784
_cell_angle_alpha   70.60648565
_cell_angle_beta   70.67689103
_cell_angle_gamma   93.99816891
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho3U(Si5Os3)2
_chemical_formula_sum   'Ho3 U1 Si10 Os6'
_cell_volume   328.59134418
_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  0.86952051  0.60063307  0.75384187  1.0
  Ho  Ho1  1  0.39830898  0.13420382  0.74247598  1.0
  Ho  Ho2  1  0.13290718  0.39849175  0.24384223  1.0
  U  U3  1  0.59455376  0.86919740  0.26037078  1.0
  Si  Si4  1  0.06605629  0.26059373  0.83427574  1.0
  Si  Si5  1  0.73864700  0.93480629  0.66608050  1.0
  Si  Si6  1  0.93380052  0.73957066  0.16374227  1.0
  Si  Si7  1  0.26230463  0.06490741  0.33445427  1.0
  Si  Si8  1  0.20866991  0.79499856  0.74295445  1.0
  Si  Si9  1  0.79467573  0.20772915  0.25424917  1.0
  Si  Si10  1  0.51411726  0.48615330  0.75179573  1.0
  Si  Si11  1  0.48568711  0.50864313  0.25267142  1.0
  Si  Si12  1  0.77402680  0.22714383  0.74562720  1.0
  Si  Si13  1  0.22512690  0.77633377  0.25229683  1.0
  Os  Os14  1  0.25630001  0.54108661  0.63215366  1.0
  Os  Os15  1  0.45502822  0.74526151  0.87050802  1.0
  Os  Os16  1  0.74491997  0.45967744  0.36461608  1.0
  Os  Os17  1  0.54647804  0.25208124  0.13138671  1.0
  Os  Os18  1  0.00248503  0.99626737  0.75105357  1.0
  Os  Os19  1  0.99638815  0.00222096  0.25160355  1.0

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