Tb4ZnPt11

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3296645 · Space group: P2/m (#10)

Materials Project API

Basic Information

Formula

Tb4ZnPt11

MP-ID

mp-3296645

Elements

Sites

Density

17.1039

g/cm³

Volume

276.41

Å³

Cell a

4.1208

Cell b

5.7990

Cell c

11.5699

α Angle

88.65

β Angle

90.00

γ Angle

90.00

Space Group

P2/m

Point Group

2/m

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 23)

2θ	d (Å)	I	hkl
7.64	11.5667	2.5	(0,0,1)
21.96	4.0471	1.5	(0,1,-2)
30.60	2.9218	1.6	(1,1,2)
37.95	2.3709	98.5	(1,2,0)
38.01	2.3670	100.0	(1,0,4)
38.62	2.3314	2.3	(1,2,1)
39.32	2.2912	1.6	(0,2,-3)
43.69	2.0717	33.3	(0,2,4)
43.94	2.0604	33.8	(2,0,0)
44.79	2.0236	30.2	(0,2,-4)
63.70	1.4609	22.0	(2,2,4)
64.27	1.4494	9.7	(0,4,0)
64.44	1.4458	10.4	(0,0,8)
64.55	1.4437	20.6	(2,2,-4)
74.09	1.2797	1.4	(1,4,-3)
76.39	1.2468	12.0	(1,4,4)
76.51	1.2451	12.7	(1,2,8)
76.79	1.2413	12.9	(3,2,0)
76.83	1.2407	13.1	(3,0,4)
77.96	1.2256	10.8	(1,4,-4)
78.08	1.2240	11.4	(1,2,-8)
81.13	1.1854	10.2	(2,4,0)
81.29	1.1835	11.0	(2,0,8)

Get direct link

Energy Properties

Formation Energy/atom

-1.10012

eV/atom

Energy/atom

-44.86145

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-44.8615

eV/atom

Volume/atom

17.28

Å³

c/a Ratio

2.8077

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0019

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

Pt · 0.688

Element Family

5d-TM

Solute Fraction

0.313

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.7775

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

6.4638

J/mol·K

Ω Parameter

3.0299

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

10.708%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.5110

smaller = more stable mixing

VEC

9.875

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-3.955

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7077

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.599

Family

Pt-rich Multi-Component

Matrix Element

Pt · 0.688

Related Tasks

Related computation task IDs (1)

aaahfosb

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3296645

Reference Citation

The crystal structure and related material properties of Tb4ZnPt11 were obtained from the Materials Project database (MP-ID: mp-3296645, 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…

Style: Ball & Stick | Drag to rotate · Scroll to zoom · Right-click to pan

Raw CIF Data

# generated using pymatgen
data_Tb4ZnPt11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.12079963
_cell_length_b   5.79902169
_cell_length_c   11.56993282
_cell_angle_alpha   88.65233431
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb4ZnPt11
_chemical_formula_sum   'Tb4 Zn1 Pt11'
_cell_volume   276.40565291
_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
  Tb  Tb0  1  0.50000000  0.75651450  0.37396893  1.0
  Tb  Tb1  1  0.50000000  0.72639626  0.86814251  1.0
  Tb  Tb2  1  0.50000000  0.27360374  0.13185749  1.0
  Tb  Tb3  1  0.50000000  0.24348550  0.62603107  1.0
  Zn  Zn4  1  0.00000000  0.00000000  0.00000000  1.0
  Pt  Pt5  1  0.00000000  0.01266796  0.24496475  1.0
  Pt  Pt6  1  0.00000000  0.98733204  0.75503525  1.0
  Pt  Pt7  1  0.00000000  0.50000000  0.00000000  1.0
  Pt  Pt8  1  0.00000000  0.50000000  0.50000000  1.0
  Pt  Pt9  1  0.00000000  0.51582939  0.24846259  1.0
  Pt  Pt10  1  0.00000000  0.48417061  0.75153741  1.0
  Pt  Pt11  1  0.50000000  0.25439000  0.37664317  1.0
  Pt  Pt12  1  0.50000000  0.22611254  0.88354290  1.0
  Pt  Pt13  1  0.50000000  0.77388746  0.11645710  1.0
  Pt  Pt14  1  0.50000000  0.74561000  0.62335683  1.0
  Pt  Pt15  1  0.00000000  0.00000000  0.50000000  1.0

Get direct link