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  1. Third-Parties
  2. MatprojStructure
  3. mp-1227869

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-1227869
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 5
  • Element list: ['Ba', 'La', 'Mn', 'Sb', 'O']
  • Chemical System: Ba-La-Mn-O-Sb
  • Density: 6.468715847196713
  • Atomic Density: 0.07096667391819084
  • Unit Cell Volume: 281.8224230581196
  • Molar Volume: 8.48587150490133
  • Full Formula: Ba2 La2 Mn2 Sb2 O12
  • Reduced Formula: BaLaMnSbO6
  • Formula Anonymous: ABCDE6
  • Spacegroup Number: 82
  • Spacegroup Symbol: I-4
  • Crystal System: tetragonal
  • Pointgroup: -4

Thermodynamics:

  • Final energy: -154.96635662
  • Final energy per atom: -7.748317831
  • 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.