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  1. Third-Parties
  2. MatprojStructure
  3. mp-16787

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-16787
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 26
  • Number of elements: 3
  • Element list: ['K', 'V', 'O']
  • Chemical System: K-O-V
  • Density: 2.658794455757403
  • Atomic Density: 0.057978216618620196
  • Unit Cell Volume: 448.4442867745932
  • Molar Volume: 10.38690237682464
  • Full Formula: K4 V6 O16
  • Reduced Formula: K2V3O8
  • Formula Anonymous: A2B3C8
  • Spacegroup Number: 100
  • Spacegroup Symbol: P4bm
  • Crystal System: tetragonal
  • Pointgroup: 4mm

Thermodynamics:

  • Final energy: -201.77868208
  • Final energy per atom: -7.760718541538462
  • 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.