Sr8GaTc3O16

High-Entropy Materials HEA

MP-ID: mp-3292669 · Space group: Immm (#71)

Materials Project API

Basic Information

Formula

Sr8GaTc3O16

MP-ID

mp-3292669

Elements

Sites

Density

5.6804

g/cm³

Volume

386.07

Å³

Cell a

5.5123

Cell b

8.8508

Cell c

8.8510

α Angle

88.27

β Angle

71.86

γ Angle

108.14

Space Group

Immm

Point Group

mmm

Crystal System

Orthorhombic

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
13.94	6.3522	49.0	(0,1,1)
28.10	3.1761	3.7	(0,2,2)
31.19	2.8681	76.5	(1,-1,-2)
31.19	2.8680	76.5	(1,0,3)
31.19	2.8680	76.4	(1,-3,0)
31.19	2.8679	76.4	(1,2,1)
32.48	2.7565	99.6	(0,2,-2)
32.49	2.7561	100.0	(2,-1,1)
42.47	2.1286	9.5	(1,-2,-3)
42.47	2.1286	9.5	(1,1,4)
42.47	2.1286	9.5	(1,-4,-1)
42.47	2.1286	9.5	(1,3,2)
42.70	2.1174	51.4	(0,3,3)
43.47	2.0818	6.9	(0,0,4)
43.47	2.0817	6.9	(0,4,0)
43.47	2.0817	6.9	(2,-3,-1)
43.47	2.0816	6.9	(2,1,3)
46.60	1.9490	53.5	(2,1,-1)
46.60	1.9490	53.5	(2,-3,3)
48.88	1.8633	1.7	(2,0,-2)
48.88	1.8633	1.7	(2,-2,4)
48.88	1.8633	1.7	(2,2,0)
48.88	1.8633	1.7	(2,-4,2)
54.66	1.6792	14.9	(0,1,5)

Get direct link

Energy Properties

Formation Energy/atom

-2.63957

eV/atom

Energy/atom

-13.57038

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-13.5704

eV/atom

Volume/atom

13.79

Å³

c/a Ratio

1.6057

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

1.9992

μB

Mag. Ordering

FiM

Mag. Sites

Magnetization/Volume

0.005180

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

O · 0.571

Element Family

Metalloid-Nonmetal

Solute Fraction

0.429

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0360

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.6136

J/mol·K

Ω Parameter

0.0000

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

55.910%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

1.1166

smaller = more stable mixing

VEC

3.500

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7473

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfivd

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3292669

Reference Citation

The crystal structure and related material properties of Sr8GaTc3O16 were obtained from the Materials Project database (MP-ID: mp-3292669, 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_Sr8GaTc3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.51228779
_cell_length_b   8.85075896
_cell_length_c   8.85102638
_cell_angle_alpha   88.27245228
_cell_angle_beta   71.85788974
_cell_angle_gamma   108.14399849
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr8GaTc3O16
_chemical_formula_sum   'Sr8 Ga1 Tc3 O16'
_cell_volume   386.06947011
_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  0.25419907  0.40050953  0.89191428  1.0
  Sr  Sr1  1  0.99998123  0.64457924  0.64459317  1.0
  Sr  Sr2  1  0.74573799  0.89186881  0.40058948  1.0
  Sr  Sr3  1  0.50004424  0.15048151  0.15038726  1.0
  Sr  Sr4  1  0.99999880  0.35540804  0.35541852  1.0
  Sr  Sr5  1  0.74580821  0.59947786  0.10806094  1.0
  Sr  Sr6  1  0.49996386  0.84952652  0.84960544  1.0
  Sr  Sr7  1  0.25426017  0.10814816  0.59943037  1.0
  Ga  Ga8  1  0.49999927  0.49999983  0.49999357  1.0
  Tc  Tc9  1  0.25039273  0.75048998  0.24954934  1.0
  Tc  Tc10  1  0.00000816  0.00000805  0.99999457  1.0
  Tc  Tc11  1  0.74960209  0.24950785  0.75045337  1.0
  O  O12  1  0.25133140  0.59013639  0.08726236  1.0
  O  O13  1  0.99981118  0.83833290  0.83871874  1.0
  O  O14  1  0.74883906  0.08742823  0.58994300  1.0
  O  O15  1  0.49990271  0.34215057  0.34229104  1.0
  O  O16  1  0.00018765  0.16165975  0.16129162  1.0
  O  O17  1  0.74866847  0.40985729  0.91272522  1.0
  O  O18  1  0.50010560  0.65785020  0.65770183  1.0
  O  O19  1  0.25115552  0.91257421  0.41007516  1.0
  O  O20  1  0.87577386  0.12570993  0.87409051  1.0
  O  O21  1  0.62391551  0.37271410  0.62737415  1.0
  O  O22  1  0.37606951  0.62727613  0.37263010  1.0
  O  O23  1  0.12424043  0.87430109  0.12590528  1.0
  O  O24  1  0.37716608  0.12449487  0.87531846  1.0
  O  O25  1  0.12042096  0.37387325  0.62622922  1.0
  O  O26  1  0.87957589  0.62611780  0.37377378  1.0
  O  O27  1  0.62283937  0.87551693  0.12467823  1.0

Get direct link