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  1. Third-Parties
  2. MatprojStructure
  3. mp-560666

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-560666
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 144
  • Number of elements: 4
  • Element list: ['K', 'Nb', 'Se', 'O']
  • Chemical System: K-Nb-O-Se
  • Density: 3.7051169771502384
  • Atomic Density: 0.03273888069147587
  • Unit Cell Volume: 4398.439927040416
  • Molar Volume: 18.394461364612162
  • Full Formula: K32 Nb16 Se88 O8
  • Reduced Formula: K4Nb2Se11O
  • Formula Anonymous: AB2C4D11
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -726.1823413000001
  • Final energy per atom: -5.042932925694445
  • 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.