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  1. Third-Parties
  2. MatprojStructure
  3. mp-1319495

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-1319495
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 4
  • Element list: ['Sr', 'Ca', 'V', 'O']
  • Chemical System: Ca-O-Sr-V
  • Density: 4.895893581735078
  • Atomic Density: 0.08439643721104251
  • Unit Cell Volume: 473.95365636082045
  • Molar Volume: 7.135539080803826
  • Full Formula: Sr6 Ca2 V8 O24
  • Reduced Formula: Sr3CaV4O12
  • Formula Anonymous: AB3C4D12
  • Spacegroup Number: 69
  • Spacegroup Symbol: Fmmm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -321.7205536
  • Final energy per atom: -8.04301384
  • 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.