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  1. Third-Parties
  2. MatprojStructure
  3. mp-16814

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-16814
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 36
  • Number of elements: 4
  • Element list: ['K', 'Th', 'V', 'O']
  • Chemical System: K-O-Th-V
  • Density: 5.139192929571991
  • Atomic Density: 0.06569415301092123
  • Unit Cell Volume: 547.9939743498213
  • Molar Volume: 9.166935692129037
  • Full Formula: K2 Th4 V6 O24
  • Reduced Formula: KTh2V3O12
  • Formula Anonymous: AB2C3D12
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -315.1112662
  • Final energy per atom: -8.753090727777778
  • 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.