HoIn2(SnRh)4

高熵材料 HEA

MP-ID: mp-3251096 · Space group: Fmm2 (#42)

Materials Project API

Basic Information

Formula

HoIn2(SnRh)4

MP-ID

mp-3251096

Elements

Sites

Density

9.1747

g/cm³

Volume

231.86

Å³

Cell a

6.9337

Cell b

6.9337

Cell c

6.8945

α Angle

120.52

β Angle

120.52

γ Angle

89.44

Space Group

Fmm2

Point Group

mm2

Crystal System

Orthorhombic

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
15.74	5.6299	8.9	(1,0,-1)
18.00	4.9270	30.6	(1,1,-1)
18.18	4.8787	7.0	(1,-1,0)
18.40	4.8228	4.3	(0,0,1)
25.70	3.4667	10.3	(2,0,-1)
25.85	3.4465	12.4	(1,1,-2)
25.98	3.4298	5.6	(1,-1,1)
30.17	2.9625	47.7	(2,1,-2)
30.39	2.9415	72.5	(2,-1,0)
30.65	2.9169	66.5	(1,0,-2)
31.79	2.8149	89.0	(2,0,-2)
36.47	2.4635	21.9	(2,2,-2)
36.85	2.4394	38.0	(2,-2,0)
37.29	2.4114	40.2	(0,0,2)
40.12	2.2475	70.9	(3,0,-2)
40.33	2.2365	51.8	(2,1,-3)
40.33	2.2365	17.3	(2,1,0)
40.50	2.2274	100.0	(2,-1,-2)
41.04	2.1990	49.8	(3,1,-2)
41.15	2.1939	24.4	(2,2,-3)
41.15	2.1939	24.4	(2,2,-1)
41.30	2.1861	17.5	(3,-1,-1)
41.48	2.1768	29.5	(2,-2,1)
41.70	2.1659	10.8	(1,1,-3)

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Energy Properties

Formation Energy/atom

-0.61147

eV/atom

Energy/atom

-25.48131

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-25.4813

eV/atom

Volume/atom

21.08

Å³

c/a Ratio

0.9944

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0000

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

Sn · 0.364

Element Family

PostTransition-Noble

Solute Fraction

0.636

Interstitial Fraction

0.000

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.2637

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

10.5060

J/mol·K

Ω Parameter

1.8298

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

9.500%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3021

smaller = more stable mixing

VEC

6.273

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

7.079

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9115

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahczie

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3251096

Reference Citation

The crystal structure and related material properties of HoIn2(SnRh)4 were obtained from the Materials Project database (MP-ID: mp-3251096, 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_HoIn2(SnRh)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.93374321
_cell_length_b   6.93374356
_cell_length_c   6.89454292
_cell_angle_alpha   120.51688501
_cell_angle_beta   120.51688654
_cell_angle_gamma   89.43604148
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HoIn2(SnRh)4
_chemical_formula_sum   'Ho1 In2 Sn4 Rh4'
_cell_volume   231.85511589
_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  0.99992790  0.99992790  1.00000000  1.0
  In  In1  1  0.45977874  0.12456472  0.00000000  1.0
  In  In2  1  0.12456472  0.45977874  0.00000000  1.0
  Sn  Sn3  1  0.87287791  0.87287791  0.33254401  1.0
  Sn  Sn4  1  0.50105488  0.00105488  0.50000000  1.0
  Sn  Sn5  1  0.00105488  0.50105488  0.50000000  1.0
  Sn  Sn6  1  0.54033290  0.54033290  0.66745499  1.0
  Rh  Rh7  1  0.75111268  0.39492587  0.00000000  1.0
  Rh  Rh8  1  0.39492587  0.75111268  0.00000000  1.0
  Rh  Rh9  1  0.61556434  0.61556434  0.37676015  1.0
  Rh  Rh10  1  0.23880320  0.23880320  0.62323885  1.0

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