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  1. Third-Parties
  2. MatprojStructure
  3. mp-1196891

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-1196891
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 60
  • Number of elements: 4
  • Element list: ['Ca', 'Al', 'Sn', 'O']
  • Chemical System: Al-Ca-O-Sn
  • Density: 4.485154432472124
  • Atomic Density: 0.07858913741208606
  • Unit Cell Volume: 763.4642900505067
  • Molar Volume: 7.662815699862699
  • Full Formula: Ca8 Al8 Sn8 O36
  • Reduced Formula: Ca2Al2Sn2O9
  • Formula Anonymous: A2B2C2D9
  • Spacegroup Number: 60
  • Spacegroup Symbol: Pbcn
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -433.53452037000005
  • Final energy per atom: -7.225575339500001
  • 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.