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  1. Third-Parties
  2. MatprojStructure
  3. mp-1223825

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-1223825
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 38
  • Number of elements: 4
  • Element list: ['K', 'Ni', 'N', 'O']
  • Chemical System: K-N-Ni-O
  • Density: 2.304342175846823
  • Atomic Density: 0.06493943979324138
  • Unit Cell Volume: 585.1605760842255
  • Molar Volume: 9.273471990478672
  • Full Formula: K6 Ni2 N10 O20
  • Reduced Formula: K3Ni(NO2)5
  • Formula Anonymous: AB3C5D10
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -242.55277851
  • Final energy per atom: -6.382967855526315
  • 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.