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  1. Third-Parties
  2. MatprojStructure
  3. mp-685014

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-685014
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 80
  • Number of elements: 2
  • Element list: ['In', 'Br']
  • Chemical System: Br-In
  • Density: 4.186662622920037
  • Atomic Density: 0.02685925117244372
  • Unit Cell Volume: 2978.489589541353
  • Molar Volume: 22.421104450515816
  • Full Formula: In32 Br48
  • Reduced Formula: In2Br3
  • Formula Anonymous: A2B3
  • Spacegroup Number: 19
  • Spacegroup Symbol: P2_12_121
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -252.38401463
  • Final energy per atom: -3.154800182875
  • 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.