Tb7(YIn4)5

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3292374 · Space group: P1 (#1)

Materials Project API

Basic Information

Formula

Tb7(YIn4)5

MP-ID

mp-3292374

Elements

Sites

Density

7.7427

g/cm³

Volume

826.42

Å³

Cell a

6.5465

Cell b

10.3563

Cell c

12.1894

α Angle

89.96

β Angle

90.02

γ Angle

90.01

Space Group

Point Group

Crystal System

Triclinic

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
7.25	12.1894	1.3	(0,0,1)
14.53	6.0947	1.2	(0,0,2)
15.37	5.7666	1.3	(1,0,1)
16.02	5.5340	2.3	(1,-1,0)
16.02	5.5333	5.1	(1,1,0)
16.87	5.2543	2.9	(0,1,2)
16.88	5.2510	2.3	(0,1,-2)
17.12	5.1782	1.8	(0,2,0)
26.36	3.3810	1.1	(1,-2,-2)
26.38	3.3789	1.2	(1,2,-2)
28.23	3.1615	8.2	(2,0,-1)
28.23	3.1610	8.5	(2,0,1)
29.25	3.0534	1.5	(1,3,0)
29.31	3.0474	4.2	(0,0,4)
29.54	3.0240	4.3	(2,-1,-1)
29.54	3.0235	6.3	(2,1,-1)
29.55	3.0234	4.6	(2,1,1)
29.55	3.0233	6.1	(2,-1,1)
29.73	3.0047	14.6	(0,3,2)
29.75	3.0028	13.9	(0,3,-2)
30.57	2.9240	3.8	(0,1,4)
30.59	2.9229	5.7	(0,1,-4)
31.12	2.8736	18.1	(1,-2,-3)
31.13	2.8729	16.6	(1,2,3)

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Energy Properties

Formation Energy/atom

-0.62248

eV/atom

Energy/atom

-24.73888

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-24.7389

eV/atom

Volume/atom

25.83

Å³

c/a Ratio

1.8620

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0063

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

In · 0.625

Element Family

PostTransition-Noble

Solute Fraction

0.375

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9163

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.6178

J/mol·K

Ω Parameter

0.9018

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

2.992%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3071

smaller = more stable mixing

VEC

4.313

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-7.653

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8340

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.548

Family

In-rich Multi-Component

Matrix Element

In · 0.625

Related Tasks

Related computation task IDs (1)

aaahfiju

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3292374

Reference Citation

The crystal structure and related material properties of Tb7(YIn4)5 were obtained from the Materials Project database (MP-ID: mp-3292374, 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_Tb7(YIn4)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.54651577
_cell_length_b   10.35632545
_cell_length_c   12.18944282
_cell_angle_alpha   89.95793242
_cell_angle_beta   90.01817291
_cell_angle_gamma   90.00831469
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb7(YIn4)5
_chemical_formula_sum   'Tb7 Y5 In20'
_cell_volume   826.41771697
_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  0.88863025  0.48981469  0.14359781  1.0
  Tb  Tb1  1  0.61110652  0.01032684  0.64355755  1.0
  Tb  Tb2  1  0.11111805  0.98970189  0.85656062  1.0
  Tb  Tb3  1  0.38872039  0.51034822  0.35626839  1.0
  Tb  Tb4  1  0.11113814  0.51041665  0.85630087  1.0
  Tb  Tb5  1  0.38894663  0.98962913  0.35650336  1.0
  Tb  Tb6  1  0.88872795  0.01013614  0.14348194  1.0
  Y  Y7  1  0.35169859  0.74991040  0.06069851  1.0
  Y  Y8  1  0.14875174  0.74992453  0.56065927  1.0
  Y  Y9  1  0.64838347  0.25014854  0.93921137  1.0
  Y  Y10  1  0.85162355  0.25008778  0.43931178  1.0
  Y  Y11  1  0.61122300  0.48952008  0.64387111  1.0
  In  In12  1  0.61446914  0.74998645  0.50628759  1.0
  In  In13  1  0.88595529  0.75008594  0.00575591  1.0
  In  In14  1  0.38567681  0.24993974  0.49371926  1.0
  In  In15  1  0.11405369  0.24996880  0.99411005  1.0
  In  In16  1  0.65932706  0.75000311  0.24496809  1.0
  In  In17  1  0.84085689  0.75022121  0.74494131  1.0
  In  In18  1  0.34022574  0.24976756  0.75523517  1.0
  In  In19  1  0.15919719  0.24991830  0.25503220  1.0
  In  In20  1  0.11633041  0.75014266  0.28553426  1.0
  In  In21  1  0.38381959  0.75027184  0.78585655  1.0
  In  In22  1  0.88381352  0.24974035  0.71433592  1.0
  In  In23  1  0.61619821  0.24993833  0.21420945  1.0
  In  In24  1  0.87218992  0.54638569  0.40275592  1.0
  In  In25  1  0.62768153  0.95386897  0.90297449  1.0
  In  In26  1  0.12775792  0.04614788  0.59717862  1.0
  In  In27  1  0.37200174  0.45373332  0.09700968  1.0
  In  In28  1  0.12795729  0.45356181  0.59702301  1.0
  In  In29  1  0.37221161  0.04618280  0.09713756  1.0
  In  In30  1  0.87234065  0.95372686  0.40278742  1.0
  In  In31  1  0.62786651  0.54644251  0.90312298  1.0

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