Sr7Tb9(YbSi4)4

High-Entropy Materials HEA

MP-ID: mp-3292166 · Space group: P1 (#1)

Materials Project API

Basic Information

Formula

Sr7Tb9(YbSi4)4

MP-ID

mp-3292166

Elements

Sites

Density

5.7379

g/cm³

Volume

921.80

Å³

Cell a

7.5620

Cell b

7.9386

Cell c

15.3553

α Angle

89.76

β Angle

89.85

γ Angle

90.08

Space Group

Point Group

Crystal System

Triclinic

Bravais Lattice

Stability

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
5.76	15.3551	8.3	(0,0,1)
11.15	7.9386	1.9	(0,1,0)
11.53	7.6776	47.5	(0,0,2)
11.70	7.5620	1.4	(1,0,0)
12.53	7.0640	30.9	(0,1,1)
12.57	7.0399	24.0	(0,1,-1)
13.04	6.7912	1.2	(1,0,1)
13.06	6.7767	1.1	(1,0,-1)
16.18	5.4790	17.4	(1,-1,0)
16.20	5.4718	21.5	(1,1,0)
17.18	5.1622	4.6	(1,1,1)
17.18	5.1619	3.0	(1,-1,-1)
17.23	5.1464	4.4	(1,1,-1)
19.88	4.4662	3.6	(1,1,2)
19.90	4.4618	5.0	(1,-1,-2)
19.92	4.4579	9.1	(1,-1,2)
19.97	4.4458	9.8	(1,1,-2)
20.61	4.3100	4.3	(0,1,3)
20.69	4.2936	5.5	(0,1,-3)
22.40	3.9693	8.0	(0,2,0)
23.17	3.8388	37.1	(0,0,4)
23.53	3.7810	6.2	(2,0,0)
23.75	3.7470	17.4	(1,1,3)
23.78	3.7420	26.2	(1,-1,-3)

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Energy Properties

Formation Energy/atom

-0.71177

eV/atom

Energy/atom

-19.42164

eV/atom

Energy above Hull

0.0461

eV/atom

Uncorrected Energy

-19.4216

eV/atom

Volume/atom

25.61

Å³

c/a Ratio

2.0306

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

4.4518

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.004830

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Si · 0.444

Element Family

Metalloid-Nonmetal

Solute Fraction

0.556

Interstitial Fraction

0.444

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.2695

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

10.5550

J/mol·K

Ω Parameter

0.0000

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

22.286%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4270

smaller = more stable mixing

VEC

5.972

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9158

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfibu

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3292166

Reference Citation

The crystal structure and related material properties of Sr7Tb9(YbSi4)4 were obtained from the Materials Project database (MP-ID: mp-3292166, 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_Sr7Tb9(YbSi4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.56199730
_cell_length_b   7.93864138
_cell_length_c   15.35532777
_cell_angle_alpha   89.76010025
_cell_angle_beta   89.84513264
_cell_angle_gamma   90.07506228
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr7Tb9(YbSi4)4
_chemical_formula_sum   'Sr7 Tb9 Yb4 Si16'
_cell_volume   921.79854915
_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
  Sr  Sr0  1  0.47868998  0.67597501  0.09801757  1.0
  Sr  Sr1  1  0.52672483  0.32168766  0.59639558  1.0
  Sr  Sr2  1  0.02290909  0.17837237  0.90337452  1.0
  Sr  Sr3  1  0.02527203  0.18094948  0.59368249  1.0
  Sr  Sr4  1  0.52231960  0.32129181  0.90312915  1.0
  Sr  Sr5  1  0.47501655  0.67931893  0.40237428  1.0
  Sr  Sr6  1  0.97706798  0.82120301  0.09924387  1.0
  Tb  Tb7  1  0.31618082  0.17646505  0.12488423  1.0
  Tb  Tb8  1  0.81958040  0.31927647  0.37718704  1.0
  Tb  Tb9  1  0.18272702  0.67860064  0.87804524  1.0
  Tb  Tb10  1  0.68512687  0.82213634  0.62133140  1.0
  Tb  Tb11  1  0.31669113  0.17835886  0.37940423  1.0
  Tb  Tb12  1  0.81673470  0.32110257  0.12398302  1.0
  Tb  Tb13  1  0.18159793  0.68176875  0.62081009  1.0
  Tb  Tb14  1  0.68205005  0.82173284  0.87813158  1.0
  Tb  Tb15  1  0.96634635  0.80959954  0.39616328  1.0
  Yb  Yb16  1  0.35277741  0.01565017  0.74966841  1.0
  Yb  Yb17  1  0.85277116  0.48632595  0.75007378  1.0
  Yb  Yb18  1  0.15036416  0.51351505  0.25015902  1.0
  Yb  Yb19  1  0.64397339  0.98445975  0.25036508  1.0
  Si  Si20  1  0.86112750  0.54724837  0.53173873  1.0
  Si  Si21  1  0.36140975  0.96210502  0.96388501  1.0
  Si  Si22  1  0.64882280  0.02886629  0.45927748  1.0
  Si  Si23  1  0.13805465  0.46142373  0.03904140  1.0
  Si  Si24  1  0.13488363  0.47801674  0.45743263  1.0
  Si  Si25  1  0.63652732  0.03668924  0.03929175  1.0
  Si  Si26  1  0.36519722  0.96485014  0.53643020  1.0
  Si  Si27  1  0.86233001  0.53682135  0.96350758  1.0
  Si  Si28  1  0.97301009  0.88050661  0.74930442  1.0
  Si  Si29  1  0.47219169  0.62160703  0.74899241  1.0
  Si  Si30  1  0.52948424  0.38054841  0.25245293  1.0
  Si  Si31  1  0.02380918  0.11235166  0.25502706  1.0
  Si  Si32  1  0.24397384  0.40416253  0.74858907  1.0
  Si  Si33  1  0.74554460  0.09798542  0.74886844  1.0
  Si  Si34  1  0.24747124  0.89624867  0.25686163  1.0
  Si  Si35  1  0.76124083  0.60277452  0.25287739  1.0

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