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  1. Third-Parties
  2. MatprojStructure
  3. mp-779068

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-779068
  • 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: 92
  • Number of elements: 4
  • Element list: ['Li', 'Mn', 'B', 'O']
  • Chemical System: B-Li-Mn-O
  • Density: 2.5317972891420175
  • Atomic Density: 0.1005903481014591
  • Unit Cell Volume: 914.6006722951732
  • Molar Volume: 5.9867978127740935
  • Full Formula: Li12 Mn4 B24 O52
  • Reduced Formula: Li3MnB6O13
  • Formula Anonymous: AB3C6D13
  • Spacegroup Number: 19
  • Spacegroup Symbol: P2_12_121
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -710.12135918
  • Final energy per atom: -7.718710425869565
  • 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.