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  1. Third-Parties
  2. MatprojStructure
  3. mp-626412

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-626412
  • 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: 28
  • Number of elements: 3
  • Element list: ['In', 'H', 'O']
  • Chemical System: H-In-O
  • Density: 4.1652678359326
  • Atomic Density: 0.10587722103403387
  • Unit Cell Volume: 264.4572621621746
  • Molar Volume: 5.687853063374419
  • Full Formula: In4 H12 O12
  • Reduced Formula: In(HO)3
  • Formula Anonymous: AB3C3
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -154.49398431
  • Final energy per atom: -5.517642296785715
  • 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.