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  1. Third-Parties
  2. MatprojStructure
  3. mp-1204686

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-1204686
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 36
  • Number of elements: 3
  • Element list: ['Cu', 'Si', 'O']
  • Chemical System: Cu-O-Si
  • Density: 3.2482878327120357
  • Atomic Density: 0.0754164095185822
  • Unit Cell Volume: 477.3496939168099
  • Molar Volume: 7.985186245860957
  • Full Formula: Cu6 Si6 O24
  • Reduced Formula: CuSiO4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -235.66876132
  • Final energy per atom: -6.546354481111111
  • 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.