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  1. Third-Parties
  2. MatprojStructure
  3. mp-684803

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-684803
  • 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: 29
  • Number of elements: 5
  • Element list: ['Ba', 'La', 'Mn', 'W', 'O']
  • Chemical System: Ba-La-Mn-O-W
  • Density: 7.236727454375725
  • Atomic Density: 0.07107864837923235
  • Unit Cell Volume: 407.99875435550877
  • Molar Volume: 8.47250320218461
  • Full Formula: Ba3 La3 Mn2 W3 O18
  • Reduced Formula: Ba3La3Mn2(WO6)3
  • Formula Anonymous: A2B3C3D3E18
  • Spacegroup Number: 160
  • Spacegroup Symbol: R3mH
  • Crystal System: trigonal
  • Pointgroup: 3m

Thermodynamics:

  • Final energy: -249.66897563
  • Final energy per atom: -8.609275021724137
  • 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.