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  1. Third-Parties
  2. MatprojStructure
  3. mp-1198840

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-1198840
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 144
  • Number of elements: 4
  • Element list: ['Sr', 'Ni', 'Ru', 'O']
  • Chemical System: Ni-O-Ru-Sr
  • Density: 6.708976523971775
  • Atomic Density: 0.0878677270510438
  • Unit Cell Volume: 1638.82695994114
  • Molar Volume: 6.853643495866963
  • Full Formula: Sr8 Ni8 Ru40 O88
  • Reduced Formula: SrNiRu5O11
  • Formula Anonymous: ABC5D11
  • Spacegroup Number: 176
  • Spacegroup Symbol: P6_3/m
  • Crystal System: hexagonal
  • Pointgroup: 6/m

Thermodynamics:

  • Final energy: -1087.88997047
  • Final energy per atom: -7.5547914615972225
  • 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.