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  1. Third-Parties
  2. MatprojStructure
  3. mp-1228543

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-1228543
  • 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: 25
  • Number of elements: 4
  • Element list: ['Ba', 'Na', 'Fe', 'As']
  • Chemical System: As-Ba-Fe-Na
  • Density: 6.357337473931728
  • Atomic Density: 0.0509115943690934
  • Unit Cell Volume: 491.04728126873596
  • Molar Volume: 11.828623390462559
  • Full Formula: Ba4 Na1 Fe10 As10
  • Reduced Formula: Ba4Na(FeAs)10
  • Formula Anonymous: AB4C10D10
  • Spacegroup Number: 87
  • Spacegroup Symbol: I4/m
  • Crystal System: tetragonal
  • Pointgroup: 4/m

Thermodynamics:

  • Final energy: -152.15615471
  • Final energy per atom: -6.0862461884000005
  • 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.