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  1. Third-Parties
  2. MatprojStructure
  3. mp-20099

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-20099
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 19
  • Number of elements: 3
  • Element list: ['In', 'W', 'O']
  • Chemical System: In-O-W
  • Density: 7.2229624477624546
  • Atomic Density: 0.07762041569303804
  • Unit Cell Volume: 244.78096168846147
  • Molar Volume: 7.758449508716222
  • Full Formula: In6 W1 O12
  • Reduced Formula: In6WO12
  • Formula Anonymous: AB6C12
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -127.28006483
  • Final energy per atom: -6.6989507805263155
  • 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.