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  1. Third-Parties
  2. MatprojStructure
  3. mp-863421

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-863421
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 66
  • Number of elements: 4
  • Element list: ['Li', 'V', 'Si', 'O']
  • Chemical System: Li-O-Si-V
  • Density: 2.9242384279517952
  • Atomic Density: 0.08927191406881019
  • Unit Cell Volume: 739.314270209639
  • Molar Volume: 6.745840304665333
  • Full Formula: Li12 V6 Si12 O36
  • Reduced Formula: Li2V(SiO3)2
  • Formula Anonymous: AB2C2D6
  • Spacegroup Number: 31
  • Spacegroup Symbol: Pmn2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -504.89561215
  • Final energy per atom: -7.649933517424242
  • 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.