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  1. Third-Parties
  2. MatprojStructure
  3. mp-849579

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-849579
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 86
  • Number of elements: 3
  • Element list: ['K', 'V', 'O']
  • Chemical System: K-O-V
  • Density: 2.3965286184728263
  • Atomic Density: 0.05490073591065613
  • Unit Cell Volume: 1566.4635195410478
  • Molar Volume: 10.9691439652107
  • Full Formula: K2 V24 O60
  • Reduced Formula: KV12O30
  • Formula Anonymous: AB12C30
  • Spacegroup Number: 192
  • Spacegroup Symbol: P6/mcc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm

Thermodynamics:

  • Final energy: -709.25926926
  • Final energy per atom: -8.247200805348838
  • 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.