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  1. Third-Parties
  2. MatprojStructure
  3. mp-1101135

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-1101135
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 3
  • Element list: ['Ti', 'In', 'Br']
  • Chemical System: Br-In-Ti
  • Density: 4.263385419171327
  • Atomic Density: 0.031004783791378034
  • Unit Cell Volume: 903.086445898274
  • Molar Volume: 19.423263198741182
  • Full Formula: Ti4 In6 Br18
  • Reduced Formula: Ti2(InBr3)3
  • Formula Anonymous: A2B3C9
  • Spacegroup Number: 186
  • Spacegroup Symbol: P6_3mc
  • Crystal System: hexagonal
  • Pointgroup: 6mm

Thermodynamics:

  • Final energy: -114.72447646
  • Final energy per atom: -4.0973027307142855
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.