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  1. Third-Parties
  2. MatprojStructure
  3. mp-705009

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-705009
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 60
  • Number of elements: 5
  • Element list: ['K', 'V', 'C', 'N', 'O']
  • Chemical System: C-K-N-O-V
  • Density: 1.8076754135497213
  • Atomic Density: 0.05195014071147382
  • Unit Cell Volume: 1154.9535608235276
  • Molar Volume: 11.59215485757084
  • Full Formula: K12 V4 C20 N20 O4
  • Reduced Formula: K3VC5N5O
  • Formula Anonymous: ABC3D5E5
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -449.00741436
  • Final energy per atom: -7.483456906
  • 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.