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  1. Third-Parties
  2. MatprojStructure
  3. mp-1227868

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-1227868
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 10
  • Number of elements: 4
  • Element list: ['Ba', 'Na', 'Fe', 'As']
  • Chemical System: As-Ba-Fe-Na
  • Density: 5.934244973483095
  • Atomic Density: 0.052294027938439375
  • Unit Cell Volume: 191.22642477974767
  • Molar Volume: 11.515924470551926
  • Full Formula: Ba1 Na1 Fe4 As4
  • Reduced Formula: BaNa(FeAs)4
  • Formula Anonymous: ABC4D4
  • Spacegroup Number: 65
  • Spacegroup Symbol: Cmmm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -59.62394279
  • Final energy per atom: -5.962394279
  • 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.