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  1. Third-Parties
  2. MatprojStructure
  3. mp-1219453

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-1219453
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 93
  • Number of elements: 4
  • Element list: ['Sr', 'Ti', 'Si', 'O']
  • Chemical System: O-Si-Sr-Ti
  • Density: 3.357396307957181
  • Atomic Density: 0.07047119999564859
  • Unit Cell Volume: 1319.6880428564082
  • Molar Volume: 8.545534573516345
  • Full Formula: Sr12 Ti4 Si16 O61
  • Reduced Formula: Sr12Ti4Si16O61
  • Formula Anonymous: A4B12C16D61
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -703.5705226800001
  • Final energy per atom: -7.5652744374193555
  • 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.