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  1. Third-Parties
  2. MatprojStructure
  3. mp-1205217

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-1205217
  • 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: 44
  • Number of elements: 5
  • Element list: ['In', 'Mo', 'H', 'Se', 'O']
  • Chemical System: H-In-Mo-O-Se
  • Density: 4.304126384599154
  • Atomic Density: 0.07079841391335806
  • Unit Cell Volume: 621.4828492322791
  • Molar Volume: 8.506039086369643
  • Full Formula: In4 Mo4 H4 Se4 O28
  • Reduced Formula: InMoHSeO7
  • Formula Anonymous: ABCDE7
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -294.2254505
  • Final energy per atom: -6.686942056818182
  • 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.