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  1. Third-Parties
  2. MatprojStructure
  3. mp-567596

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-567596
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 26
  • Number of elements: 2
  • Element list: ['In', 'Se']
  • Chemical System: In-Se
  • Density: 5.856983196348211
  • Atomic Density: 0.03692978124238385
  • Unit Cell Volume: 704.0388305945371
  • Molar Volume: 16.30700360902345
  • Full Formula: In12 Se14
  • Reduced Formula: In6Se7
  • Formula Anonymous: A6B7
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -100.82030671
  • Final energy per atom: -3.877704104230769
  • 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.