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  1. Third-Parties
  2. MatprojStructure
  3. mp-1196298

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-1196298
  • 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: 58
  • Number of elements: 4
  • Element list: ['V', 'Pb', 'O', 'F']
  • Chemical System: F-O-Pb-V
  • Density: 4.69962263129152
  • Atomic Density: 0.06649350775184444
  • Unit Cell Volume: 872.2656084930511
  • Molar Volume: 9.056734955952079
  • Full Formula: V8 Pb6 O6 F38
  • Reduced Formula: V4Pb3O3F19
  • Formula Anonymous: A3B3C4D19
  • Spacegroup Number: 159
  • Spacegroup Symbol: P31c
  • Crystal System: trigonal
  • Pointgroup: 31m

Thermodynamics:

  • Final energy: -359.45575161
  • Final energy per atom: -6.197512958793103
  • 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.