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  1. Third-Parties
  2. MatprojStructure
  3. mp-771204

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-771204
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 26
  • Number of elements: 5
  • Element list: ['Na', 'Fe', 'Si', 'C', 'O']
  • Chemical System: C-Fe-Na-O-Si
  • Density: 2.937094676078928
  • Atomic Density: 0.08303847254886094
  • Unit Cell Volume: 313.10787881727055
  • Molar Volume: 7.252229689625483
  • Full Formula: Na6 Fe2 Si2 C2 O14
  • Reduced Formula: Na3FeSiCO7
  • Formula Anonymous: ABCD3E7
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -183.17823533
  • Final energy per atom: -7.045316743461539
  • 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.