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  1. Third-Parties
  2. MatprojStructure
  3. mp-1182493

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-1182493
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 84
  • Number of elements: 4
  • Element list: ['Ca', 'V', 'Si', 'O']
  • Chemical System: Ca-O-Si-V
  • Density: 2.147428531152217
  • Atomic Density: 0.061254747568416326
  • Unit Cell Volume: 1371.3222784271402
  • Molar Volume: 9.831304509538276
  • Full Formula: Ca4 V4 Si16 O60
  • Reduced Formula: CaVSi4O15
  • Formula Anonymous: ABC4D15
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -599.13183263
  • Final energy per atom: -7.132521817023809
  • 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.