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  1. Third-Parties
  2. MatprojStructure
  3. mp-1163936

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-1163936
  • 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: 80
  • Number of elements: 4
  • Element list: ['Ca', 'Cu', 'Si', 'O']
  • Chemical System: Ca-Cu-O-Si
  • Density: 3.8713014438831945
  • Atomic Density: 0.08905508807429416
  • Unit Cell Volume: 898.3203737136282
  • Molar Volume: 6.76226467259909
  • Full Formula: Ca12 Cu8 Si12 O48
  • Reduced Formula: Ca3Cu2(SiO4)3
  • Formula Anonymous: A2B3C3D12
  • Spacegroup Number: 230
  • Spacegroup Symbol: Ia-3d
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -577.35042571
  • Final energy per atom: -7.216880321374999
  • 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.