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  1. Third-Parties
  2. MatprojStructure
  3. mp-698854

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-698854
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 108
  • Number of elements: 5
  • Element list: ['Ba', 'Sr', 'Nd', 'Fe', 'O']
  • Chemical System: Ba-Fe-Nd-O-Sr
  • Density: 5.807737402611816
  • Atomic Density: 0.06187793330682308
  • Unit Cell Volume: 1745.371802650222
  • Molar Volume: 9.732291364902387
  • Full Formula: Ba20 Sr4 Nd8 Fe16 O60
  • Reduced Formula: Ba5SrNd2Fe4O15
  • Formula Anonymous: AB2C4D5E15
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -808.05626035
  • Final energy per atom: -7.482002410648148
  • 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.