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  1. Third-Parties
  2. MatprojStructure
  3. mp-1228733

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-1228733
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 59
  • Number of elements: 5
  • Element list: ['Ba', 'Mn', 'Si', 'Cl', 'O']
  • Chemical System: Ba-Cl-Mn-O-Si
  • Density: 3.6824271838115425
  • Atomic Density: 0.06441845628334507
  • Unit Cell Volume: 915.8865859884635
  • Molar Volume: 9.348471086471815
  • Full Formula: Ba6 Mn4 Si12 Cl3 O34
  • Reduced Formula: Ba6Mn4Si12Cl3O34
  • Formula Anonymous: A3B4C6D12E34
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -469.25097321
  • Final energy per atom: -7.95340632559322
  • 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.