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  1. Third-Parties
  2. MatprojStructure
  3. mp-1227921

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-1227921
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 80
  • Number of elements: 5
  • Element list: ['Ca', 'Sc', 'Fe', 'Si', 'O']
  • Chemical System: Ca-Fe-O-Sc-Si
  • Density: 3.619644801644333
  • Atomic Density: 0.08766821860910953
  • Unit Cell Volume: 912.5313741881744
  • Molar Volume: 6.869240479096771
  • Full Formula: Ca12 Sc4 Fe4 Si12 O48
  • Reduced Formula: Ca3ScFe(SiO4)3
  • Formula Anonymous: ABC3D3E12
  • Spacegroup Number: 206
  • Spacegroup Symbol: Ia-3
  • Crystal System: cubic
  • Pointgroup: m-3

Thermodynamics:

  • Final energy: -649.95184517
  • Final energy per atom: -8.124398064625
  • 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.