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  1. Third-Parties
  2. MatprojStructure
  3. mp-542840

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-542840
  • 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: 60
  • Number of elements: 4
  • Element list: ['In', 'Si', 'Pb', 'O']
  • Chemical System: In-O-Pb-Si
  • Density: 6.31807430181369
  • Atomic Density: 0.0676052961593702
  • Unit Cell Volume: 887.5044324716548
  • Molar Volume: 8.907794362447035
  • Full Formula: In8 Si8 Pb8 O36
  • Reduced Formula: In2Si2Pb2O9
  • Formula Anonymous: A2B2C2D9
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -417.33201442
  • Final energy per atom: -6.955533573666667
  • 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.