HoEr3(Si2Pt3)2

High-Entropy Materials HEA

MP-ID: mp-3295397 · Space group: Pm (#6)

Materials Project API

Basic Information

Formula

HoEr3(Si2Pt3)2

MP-ID

mp-3295397

Elements

Sites

Density

13.3475

g/cm³

Volume

242.54

Å³

Cell a

4.1476

Cell b

6.6206

Cell c

8.8328

α Angle

90.04

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
20.11	4.4164	17.9	(0,0,2)
21.42	4.1476	3.7	(1,0,0)
24.22	3.6751	6.6	(0,1,-2)
24.23	3.6728	6.5	(0,1,2)
27.30	3.2662	14.6	(1,1,-1)
27.31	3.2653	14.5	(1,1,1)
28.80	3.1005	4.0	(0,2,-1)
28.81	3.0990	4.0	(0,2,1)
29.55	3.0234	9.7	(1,0,2)
32.55	2.7507	100.0	(1,1,-2)
32.56	2.7497	99.4	(1,1,2)
33.30	2.6909	34.6	(0,1,-3)
33.31	2.6895	34.3	(0,1,3)
34.67	2.5873	91.9	(1,2,0)
36.17	2.4833	66.5	(1,2,-1)
36.18	2.4826	66.3	(1,2,1)
39.94	2.2574	54.6	(1,1,-3)
39.95	2.2566	54.4	(1,1,3)
40.39	2.2329	20.4	(1,2,-2)
40.41	2.2319	21.0	(1,2,2)
40.87	2.2082	7.1	(0,0,4)
41.01	2.2007	9.2	(0,2,-3)
41.04	2.1992	9.3	(0,2,3)
42.20	2.1414	33.2	(0,3,-1)

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Energy Properties

Formation Energy/atom

-1.32836

eV/atom

Energy/atom

-35.51972

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-35.5197

eV/atom

Volume/atom

17.32

Å³

c/a Ratio

2.1296

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0005

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Pt · 0.429

Element Family

5d-TM

Solute Fraction

0.571

Interstitial Fraction

0.286

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.2397

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

10.3065

J/mol·K

Ω Parameter

2.3581

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

15.520%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4320

smaller = more stable mixing

VEC

8.786

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-8.159

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8942

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfmwb

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3295397

Reference Citation

The crystal structure and related material properties of HoEr3(Si2Pt3)2 were obtained from the Materials Project database (MP-ID: mp-3295397, 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_HoEr3(Si2Pt3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.14758940
_cell_length_b   6.62054862
_cell_length_c   8.83275016
_cell_angle_alpha   90.03987985
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HoEr3(Si2Pt3)2
_chemical_formula_sum   'Ho1 Er3 Si4 Pt6'
_cell_volume   242.54123043
_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  0.00000000  0.88791424  0.32986849  1.0
  Er  Er1  1  0.00000000  0.11222569  0.67041814  1.0
  Er  Er2  1  0.00000000  0.38786241  0.16995113  1.0
  Er  Er3  1  0.00000000  0.61225504  0.82990413  1.0
  Si  Si4  1  0.50000000  0.57181197  0.35692065  1.0
  Si  Si5  1  0.50000000  0.42756330  0.64345918  1.0
  Si  Si6  1  0.50000000  0.07292008  0.14265520  1.0
  Si  Si7  1  0.50000000  0.92745993  0.85672846  1.0
  Pt  Pt8  1  0.50000000  0.69440933  0.09034693  1.0
  Pt  Pt9  1  0.50000000  0.30561092  0.90928083  1.0
  Pt  Pt10  1  0.50000000  0.19500735  0.40946834  1.0
  Pt  Pt11  1  0.50000000  0.80525511  0.59125832  1.0
  Pt  Pt12  1  0.00000000  0.49944296  0.50032449  1.0
  Pt  Pt13  1  0.00000000  0.00026167  0.99941572  1.0

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