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  1. Third-Parties
  2. MatprojStructure
  3. mp-1214827

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-1214827
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 92
  • Number of elements: 4
  • Element list: ['Ba', 'Sn', 'Te', 'Se']
  • Chemical System: Ba-Se-Sn-Te
  • Density: 5.147248102242686
  • Atomic Density: 0.028634266587586846
  • Unit Cell Volume: 3212.933696715761
  • Molar Volume: 21.03123801540159
  • Full Formula: Ba28 Sn12 Te12 Se40
  • Reduced Formula: Ba7Sn3Te3Se10
  • Formula Anonymous: A3B3C7D10
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -428.43704827
  • Final energy per atom: -4.656924437717391
  • 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.