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  1. Third-Parties
  2. MatprojStructure
  3. mp-818519

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-818519
  • 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: 40
  • Number of elements: 5
  • Element list: ['Na', 'Ca', 'Fe', 'Si', 'O']
  • Chemical System: Ca-Fe-Na-O-Si
  • Density: 3.4117751003074055
  • Atomic Density: 0.08292776173201355
  • Unit Cell Volume: 482.34751746058936
  • Molar Volume: 7.261911613460567
  • Full Formula: Na1 Ca2 Fe5 Si8 O24
  • Reduced Formula: NaCa2Fe5(SiO3)8
  • Formula Anonymous: AB2C5D8E24
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -321.77026018000004
  • Final energy per atom: -8.044256504500002
  • 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.