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  1. Third-Parties
  2. MatprojStructure
  3. mp-1200285

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-1200285
  • 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: 42
  • Number of elements: 4
  • Element list: ['Ca', 'V', 'Si', 'O']
  • Chemical System: Ca-O-Si-V
  • Density: 2.2251182316299096
  • Atomic Density: 0.06347082271242753
  • Unit Cell Volume: 661.7213737766225
  • Molar Volume: 9.48804584948427
  • Full Formula: Ca2 V2 Si8 O30
  • Reduced Formula: CaVSi4O15
  • Formula Anonymous: ABC4D15
  • Spacegroup Number: 36
  • Spacegroup Symbol: Cmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -299.99553472
  • Final energy per atom: -7.142750826666667
  • 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.