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  1. Third-Parties
  2. MatprojStructure
  3. mp-1520962

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-1520962
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 5
  • Element list: ['Ba', 'Y', 'Nb', 'Sn', 'O']
  • Chemical System: Ba-Nb-O-Sn-Y
  • Density: 5.864025704283181
  • Atomic Density: 0.06615018694384593
  • Unit Cell Volume: 604.6846100972549
  • Molar Volume: 9.103739593528466
  • Full Formula: Ba4 Y4 Nb4 Sn4 O24
  • Reduced Formula: BaYNbSnO6
  • Formula Anonymous: ABCDE6
  • Spacegroup Number: 16
  • Spacegroup Symbol: P222
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -328.79577839
  • Final energy per atom: -8.21989445975
  • 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.