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  1. Third-Parties
  2. MatprojStructure
  3. mp-766406

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-766406
  • 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: 64
  • Number of elements: 4
  • Element list: ['Li', 'V', 'Si', 'O']
  • Chemical System: Li-O-Si-V
  • Density: 2.4662202128085826
  • Atomic Density: 0.07920614939662043
  • Unit Cell Volume: 808.0180704091993
  • Molar Volume: 7.60312274473092
  • Full Formula: Li12 V4 Si12 O36
  • Reduced Formula: Li3V(SiO3)3
  • Formula Anonymous: AB3C3D9
  • Spacegroup Number: 31
  • Spacegroup Symbol: Pmn2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -484.55685052
  • Final energy per atom: -7.571200789375
  • 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.