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  1. Third-Parties
  2. MatprojStructure
  3. mp-1251946

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-1251946
  • 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: 76
  • Number of elements: 4
  • Element list: ['Ca', 'Fe', 'Si', 'O']
  • Chemical System: Ca-Fe-O-Si
  • Density: 3.4410971676282904
  • Atomic Density: 0.08411378171702819
  • Unit Cell Volume: 903.5380225285292
  • Molar Volume: 7.159517307472176
  • Full Formula: Ca8 Fe8 Si12 O48
  • Reduced Formula: Ca2Fe2(SiO4)3
  • Formula Anonymous: A2B2C3D12
  • Spacegroup Number: 142
  • Spacegroup Symbol: I4_1/acd
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -589.72827877
  • Final energy per atom: -7.759582615394737
  • 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.