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  1. Third-Parties
  2. MatprojStructure
  3. mp-561406

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-561406
  • 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: 116
  • Number of elements: 4
  • Element list: ['K', 'Nb', 'V', 'O']
  • Chemical System: K-Nb-O-V
  • Density: 3.744399836999444
  • Atomic Density: 0.06350909044263515
  • Unit Cell Volume: 1826.5101765986944
  • Molar Volume: 9.482328778491203
  • Full Formula: K12 Nb24 V4 O76
  • Reduced Formula: K3Nb6VO19
  • Formula Anonymous: AB3C6D19
  • Spacegroup Number: 189
  • Spacegroup Symbol: P-62m
  • Crystal System: hexagonal
  • Pointgroup: -62m

Thermodynamics:

  • Final energy: -1003.7165656
  • Final energy per atom: -8.652729013793103
  • 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.