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  1. Third-Parties
  2. MatprojStructure
  3. mp-759747

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-759747
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 48
  • Number of elements: 3
  • Element list: ['Sr', 'Ni', 'O']
  • Chemical System: Ni-O-Sr
  • Density: 5.406449979470377
  • Atomic Density: 0.07768708013011603
  • Unit Cell Volume: 617.8633553945658
  • Molar Volume: 7.751791867983293
  • Full Formula: Sr12 Ni9 O27
  • Reduced Formula: Sr4(NiO3)3
  • Formula Anonymous: A3B4C9
  • Spacegroup Number: 150
  • Spacegroup Symbol: P321
  • Crystal System: trigonal
  • Pointgroup: 321

Thermodynamics:

  • Final energy: -305.77749723
  • Final energy per atom: -6.370364525625
  • 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.