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  1. Third-Parties
  2. MatprojStructure
  3. mp-553878

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-553878
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 68
  • Number of elements: 3
  • Element list: ['Th', 'V', 'O']
  • Chemical System: O-Th-V
  • Density: 3.7187376395681055
  • Atomic Density: 0.060642378154994805
  • Unit Cell Volume: 1121.328055872083
  • Molar Volume: 9.930581456762983
  • Full Formula: Th4 V16 O48
  • Reduced Formula: ThV4O12
  • Formula Anonymous: AB4C12
  • Spacegroup Number: 88
  • Spacegroup Symbol: I4_1/a
  • Crystal System: tetragonal
  • Pointgroup: 4/m

Thermodynamics:

  • Final energy: -597.2519934400001
  • Final energy per atom: -8.783117550588237
  • 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.