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  1. Third-Parties
  2. MatprojStructure
  3. mp-1220955

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-1220955
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 15
  • Number of elements: 4
  • Element list: ['Na', 'Sr', 'Fe', 'As']
  • Chemical System: As-Fe-Na-Sr
  • Density: 5.976056665311276
  • Atomic Density: 0.05492609739629904
  • Unit Cell Volume: 273.09422498694965
  • Molar Volume: 10.96407909076347
  • Full Formula: Na1 Sr2 Fe6 As6
  • Reduced Formula: NaSr2(FeAs)6
  • Formula Anonymous: AB2C6D6
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -89.99297216
  • Final energy per atom: -5.999531477333333
  • 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.