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  1. Third-Parties
  2. MatprojStructure
  3. mp-569547

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-569547
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 32
  • Number of elements: 4
  • Element list: ['Sr', 'Fe', 'C', 'N']
  • Chemical System: C-Fe-N-Sr
  • Density: 4.083163808876725
  • Atomic Density: 0.055914095507852604
  • Unit Cell Volume: 572.3064946209477
  • Molar Volume: 10.770344588967278
  • Full Formula: Sr12 Fe2 C4 N14
  • Reduced Formula: Sr6FeC2N7
  • Formula Anonymous: AB2C6D7
  • Spacegroup Number: 18
  • Spacegroup Symbol: P2_12_12
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -217.8432735
  • Final energy per atom: -6.807602296875
  • 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.