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  1. Third-Parties
  2. MatprojStructure
  3. mp-757761

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-757761
  • 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: 100
  • Number of elements: 4
  • Element list: ['Li', 'V', 'Si', 'O']
  • Chemical System: Li-O-Si-V
  • Density: 2.6111424543707815
  • Atomic Density: 0.08185352261321965
  • Unit Cell Volume: 1221.6945197646219
  • Molar Volume: 7.357216363743155
  • Full Formula: Li12 V4 Si24 O60
  • Reduced Formula: Li3V(Si2O5)3
  • Formula Anonymous: AB3C6D15
  • Spacegroup Number: 64
  • Spacegroup Symbol: Cmce
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -787.34453167
  • Final energy per atom: -7.873445316700001
  • 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.