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  1. Third-Parties
  2. MatprojStructure
  3. mp-1217882

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-1217882
  • 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: 165
  • Number of elements: 4
  • Element list: ['V', 'Si', 'Bi', 'O']
  • Chemical System: Bi-O-Si-V
  • Density: 8.76642039265193
  • Atomic Density: 0.0601451118205178
  • Unit Cell Volume: 2743.365088294876
  • Molar Volume: 10.012685283503982
  • Full Formula: V1 Si3 Bi61 O100
  • Reduced Formula: VSi3Bi61O100
  • Formula Anonymous: AB3C61D100
  • Spacegroup Number: 146
  • Spacegroup Symbol: R3H
  • Crystal System: trigonal
  • Pointgroup: 3

Thermodynamics:

  • Final energy: -1044.87435083
  • Final energy per atom: -6.33257182321212
  • 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.