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  1. Third-Parties
  2. MatprojStructure
  3. mp-771393

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-771393
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 26
  • Number of elements: 5
  • Element list: ['Na', 'Fe', 'B', 'As', 'O']
  • Chemical System: As-B-Fe-Na-O
  • Density: 3.230762664036418
  • Atomic Density: 0.07841733567810605
  • Unit Cell Volume: 331.5593392094695
  • Molar Volume: 7.6796038885077405
  • Full Formula: Na6 Fe2 B2 As2 O14
  • Reduced Formula: Na3FeBAsO7
  • Formula Anonymous: ABCD3E7
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -171.95976426
  • Final energy per atom: -6.613837086923076
  • 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.