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  1. Third-Parties
  2. MatprojStructure
  3. mp-1195747

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-1195747
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 82
  • Number of elements: 4
  • Element list: ['Na', 'Fe', 'As', 'O']
  • Chemical System: As-Fe-Na-O
  • Density: 3.7898093369916177
  • Atomic Density: 0.07683652939535258
  • Unit Cell Volume: 1067.200726598145
  • Molar Volume: 7.837601213107689
  • Full Formula: Na14 Fe8 As12 O48
  • Reduced Formula: Na7Fe4(AsO4)6
  • Formula Anonymous: A4B6C7D24
  • Spacegroup Number: 167
  • Spacegroup Symbol: R-3cH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -519.18454206
  • Final energy per atom: -6.331518805609757
  • 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.