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  1. Third-Parties
  2. MatprojStructure
  3. mp-1192520

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-1192520
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 5
  • Element list: ['Ca', 'Al', 'Cu', 'Si', 'O']
  • Chemical System: Al-Ca-Cu-O-Si
  • Density: 3.098317132541393
  • Atomic Density: 0.07897273857503527
  • Unit Cell Volume: 354.5527292737359
  • Molar Volume: 7.625594437602179
  • Full Formula: Ca2 Al2 Cu2 Si4 O18
  • Reduced Formula: CaAlCuSi2O9
  • Formula Anonymous: ABCD2E9
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -201.66767974
  • Final energy per atom: -7.202417133571429
  • 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.