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  1. Third-Parties
  2. MatprojStructure
  3. mp-1228270

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-1228270
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 56
  • Number of elements: 5
  • Element list: ['Ba', 'Ti', 'Si', 'Sn', 'O']
  • Chemical System: Ba-O-Si-Sn-Ti
  • Density: 3.8753465025683216
  • Atomic Density: 0.07002704909791975
  • Unit Cell Volume: 799.6909868598698
  • Molar Volume: 8.599735156024012
  • Full Formula: Ba4 Ti1 Si12 Sn3 O36
  • Reduced Formula: Ba4TiSi12(SnO12)3
  • Formula Anonymous: AB3C4D12E36
  • Spacegroup Number: 149
  • Spacegroup Symbol: P312
  • Crystal System: trigonal
  • Pointgroup: 312

Thermodynamics:

  • Final energy: -448.0713217000001
  • Final energy per atom: -8.001273601785716
  • 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.