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  1. Third-Parties
  2. MatprojStructure
  3. mp-1227284

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-1227284
  • 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: 37
  • Number of elements: 4
  • Element list: ['Ca', 'Si', 'C', 'O']
  • Chemical System: C-Ca-O-Si
  • Density: 2.664691043694567
  • Atomic Density: 0.07161692576407273
  • Unit Cell Volume: 516.6376468307075
  • Molar Volume: 8.408823327377538
  • Full Formula: Ca7 Si6 C1 O23
  • Reduced Formula: Ca7Si6CO23
  • Formula Anonymous: AB6C7D23
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -282.03570241
  • Final energy per atom: -7.622586551621621
  • 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.