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  1. Third-Parties
  2. MatprojStructure
  3. mp-1227370

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-1227370
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 16
  • Number of elements: 5
  • Element list: ['Ca', 'Ti', 'Si', 'Ge', 'O']
  • Chemical System: Ca-Ge-O-Si-Ti
  • Density: 3.718283531596632
  • Atomic Density: 0.08205786386453993
  • Unit Cell Volume: 194.98435916407223
  • Molar Volume: 7.338895355527743
  • Full Formula: Ca2 Ti2 Si1 Ge1 O10
  • Reduced Formula: Ca2Ti2SiGeO10
  • Formula Anonymous: ABC2D2E10
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -131.49011073
  • Final energy per atom: -8.218131920625
  • 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.