Sm2HoTeAs2

High-Entropy Materials HEA

MP-ID: mp-3293101 · Space group: P-3m1 (#164)

Materials Project API

Basic Information

Formula

Sm2HoTeAs2

MP-ID

mp-3293101

Elements

Sites

Density

7.5973

g/cm³

Volume

324.84

Å³

Cell a

4.2253

Cell b

10.5173

Cell c

7.3098

α Angle

89.96

β Angle

90.00

γ Angle

90.00

Space Group

P-3m1

Point Group

-3m

Crystal System

Trigonal

Bravais Lattice

Stability

Yes

Packing Fraction

0.7405

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
8.41	10.5173	1.5	(0,1,0)
24.33	3.6581	1.1	(1,0,1)
25.41	3.5058	2.8	(0,3,0)
25.78	3.4555	8.6	(1,1,1)
25.79	3.4547	2.3	(1,1,-1)
25.80	3.4532	1.2	(0,1,2)
25.81	3.4516	4.3	(0,1,-2)
29.75	3.0035	4.2	(1,2,1)
29.76	3.0025	100.0	(1,2,-1)
29.76	3.0023	49.8	(0,2,2)
29.78	3.0001	2.0	(0,2,-2)
34.10	2.6293	3.9	(0,4,0)
35.46	2.5316	4.3	(1,3,1)
35.47	2.5310	1.7	(0,3,2)
35.47	2.5306	3.2	(1,3,-1)
35.50	2.5291	2.1	(0,3,-2)
42.33	2.1354	31.2	(1,4,1)
42.36	2.1336	15.7	(0,4,-2)
42.80	2.1126	19.8	(2,0,0)
42.84	2.1108	39.4	(1,0,3)
43.00	2.1035	2.1	(0,5,0)
50.01	1.8238	3.9	(1,5,1)
50.05	1.8225	1.9	(0,5,-2)
50.66	1.8019	1.5	(2,1,-2)

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Energy Properties

Formation Energy/atom

-1.79714

eV/atom

Energy/atom

-26.32705

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-26.3271

eV/atom

Volume/atom

27.07

Å³

c/a Ratio

1.7300

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0044

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000010

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Sm · 0.333

Element Family

Lanthanide

Solute Fraction

0.667

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.3297

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

11.0548

J/mol·K

Ω Parameter

0.0000

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

20.011%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4828

smaller = more stable mixing

VEC

5.500

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9591

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfjlt

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3293101

Reference Citation

The crystal structure and related material properties of Sm2HoTeAs2 were obtained from the Materials Project database (MP-ID: mp-3293101, 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_Sm2HoTeAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.22528019
_cell_length_b   10.51732229
_cell_length_c   7.30975900
_cell_angle_alpha   89.95675022
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm2HoTeAs2
_chemical_formula_sum   'Sm4 Ho2 Te2 As4'
_cell_volume   324.83560893
_cell_formula_units_Z   2
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
  Sm  Sm0  1  0.25000000  0.80286139  0.91581262  1.0
  Sm  Sm1  1  0.75000000  0.19713861  0.08418738  1.0
  Sm  Sm2  1  0.75000000  0.80290111  0.41607574  1.0
  Sm  Sm3  1  0.25000000  0.19709889  0.58392426  1.0
  Ho  Ho4  1  0.25000000  0.50015247  0.24984774  1.0
  Ho  Ho5  1  0.75000000  0.49984753  0.75015226  1.0
  Te  Te6  1  0.75000000  0.99998658  0.75011515  1.0
  Te  Te7  1  0.25000000  0.00001342  0.24988485  1.0
  As  As8  1  0.25000000  0.65309122  0.58311378  1.0
  As  As9  1  0.75000000  0.34690878  0.41688622  1.0
  As  As10  1  0.75000000  0.65323381  0.08313753  1.0
  As  As11  1  0.25000000  0.34676619  0.91686247  1.0

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