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  1. Third-Parties
  2. MatprojStructure
  3. mp-1234679

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-1234679
  • 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: 31
  • Number of elements: 5
  • Element list: ['Ba', 'Pr', 'Mg', 'Ru', 'O']
  • Chemical System: Ba-Mg-O-Pr-Ru
  • Density: 6.1913437661903075
  • Atomic Density: 0.06342571417530465
  • Unit Cell Volume: 488.76075583978394
  • Molar Volume: 9.494793773003776
  • Full Formula: Ba6 Pr2 Mg1 Ru4 O18
  • Reduced Formula: Ba6Pr2Mg(Ru2O9)2
  • Formula Anonymous: AB2C4D6E18
  • Spacegroup Number: 187
  • Spacegroup Symbol: P-6m2
  • Crystal System: hexagonal
  • Pointgroup: -6m2

Thermodynamics:

  • Final energy: -226.18975778
  • Final energy per atom: -7.296443799354839
  • 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.