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  1. Third-Parties
  2. MatprojStructure
  3. mp-998555

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-998555
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 10
  • Number of elements: 3
  • Element list: ['In', 'Sn', 'Br']
  • Chemical System: Br-In-Sn
  • Density: 4.00386388952432
  • Atomic Density: 0.025475268294025313
  • Unit Cell Volume: 392.5375734843699
  • Molar Volume: 23.639165211117195
  • Full Formula: In2 Sn2 Br6
  • Reduced Formula: InSnBr3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 161
  • Spacegroup Symbol: R3cH
  • Crystal System: trigonal
  • Pointgroup: 3m

Thermodynamics:

  • Final energy: -33.93821434
  • Final energy per atom: -3.3938214340000004
  • 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.