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  1. Third-Parties
  2. MatprojStructure
  3. mp-1199238

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-1199238
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 66
  • Number of elements: 4
  • Element list: ['In', 'Te', 'Ir', 'Br']
  • Chemical System: Br-In-Ir-Te
  • Density: 4.850405322802741
  • Atomic Density: 0.02704525270875488
  • Unit Cell Volume: 2440.354346499968
  • Molar Volume: 22.266905119546397
  • Full Formula: In2 Te28 Ir4 Br32
  • Reduced Formula: InTe14(IrBr8)2
  • Formula Anonymous: AB2C14D16
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -222.81723748
  • Final energy per atom: -3.3760187496969696
  • 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.