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  1. Third-Parties
  2. MatprojStructure
  3. mp-1228681

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-1228681
  • 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: 64
  • Number of elements: 4
  • Element list: ['Ba', 'Sr', 'Mo', 'N']
  • Chemical System: Ba-Mo-N-Sr
  • Density: 5.092334088212652
  • Atomic Density: 0.048889428563047406
  • Unit Cell Volume: 1309.0764584713058
  • Molar Volume: 12.31787921643203
  • Full Formula: Ba14 Sr10 Mo8 N32
  • Reduced Formula: Ba7Sr5(MoN4)4
  • Formula Anonymous: A4B5C7D16
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -466.14382104
  • Final energy per atom: -7.28349720375
  • 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.