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  1. Third-Parties
  2. MatprojStructure
  3. mp-774247

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-774247
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 52
  • Number of elements: 5
  • Element list: ['Na', 'Fe', 'B', 'S', 'O']
  • Chemical System: B-Fe-Na-O-S
  • Density: 2.800973245014763
  • Atomic Density: 0.07840293487346582
  • Unit Cell Volume: 663.240477973466
  • Molar Volume: 7.68101445401133
  • Full Formula: Na12 Fe4 B4 S4 O28
  • Reduced Formula: Na3FeBSO7
  • Formula Anonymous: ABCD3E7
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -343.5035107
  • Final energy per atom: -6.6058367442307695
  • 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.