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  1. Third-Parties
  2. MatprojStructure
  3. mp-22598

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-22598
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 2
  • Element list: ['In', 'O']
  • Chemical System: In-O
  • Density: 6.751274625874237
  • Atomic Density: 0.0732206733184911
  • Unit Cell Volume: 546.2938018339478
  • Molar Volume: 8.224645427398949
  • Full Formula: In16 O24
  • Reduced Formula: In2O3
  • Formula Anonymous: A2B3
  • Spacegroup Number: 206
  • Spacegroup Symbol: Ia-3
  • Crystal System: cubic
  • Pointgroup: m-3

Thermodynamics:

  • Final energy: -242.66053952
  • Final energy per atom: -6.066513488
  • 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.