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  1. Third-Parties
  2. MatprojStructure
  3. mp-559790

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-559790
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 34
  • Number of elements: 4
  • Element list: ['K', 'Nb', 'Cl', 'O']
  • Chemical System: Cl-K-Nb-O
  • Density: 2.8369671339149507
  • Atomic Density: 0.042394592827903435
  • Unit Cell Volume: 801.9890682290443
  • Molar Volume: 14.204973696636909
  • Full Formula: K4 Nb6 Cl14 O10
  • Reduced Formula: K2Nb3Cl7O5
  • Formula Anonymous: A2B3C5D7
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -223.66696995
  • Final energy per atom: -6.578440292647059
  • 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.