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  1. Third-Parties
  2. MatprojStructure
  3. mp-695670

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-695670
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 48
  • Number of elements: 6
  • Element list: ['Na', 'Ca', 'Mg', 'Fe', 'Si', 'O']
  • Chemical System: Ca-Fe-Mg-Na-O-Si
  • Density: 2.714311658102705
  • Atomic Density: 0.07009077003197382
  • Unit Cell Volume: 684.8262614050822
  • Molar Volume: 8.591916963179084
  • Full Formula: Na2 Ca6 Mg2 Fe2 Si8 O28
  • Reduced Formula: NaCa3MgFe(Si2O7)2
  • Formula Anonymous: ABCD3E4F14
  • Spacegroup Number: 28
  • Spacegroup Symbol: Pma2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -344.03687684
  • Final energy per atom: -7.167434934166667
  • 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.