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  1. Third-Parties
  2. MatprojStructure
  3. mp-1218351

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-1218351
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 5
  • Element list: ['Sr', 'Ca', 'Ti', 'Mn', 'O']
  • Chemical System: Ca-Mn-O-Sr-Ti
  • Density: 4.659968875752947
  • Atomic Density: 0.08595110633863763
  • Unit Cell Volume: 232.69043124590235
  • Molar Volume: 7.006472652339631
  • Full Formula: Sr2 Ca2 Ti2 Mn2 O12
  • Reduced Formula: SrCaTiMnO6
  • Formula Anonymous: ABCDE6
  • Spacegroup Number: 99
  • Spacegroup Symbol: P4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm

Thermodynamics:

  • Final energy: -160.67276189
  • Final energy per atom: -8.0336380945
  • 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.