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  1. Third-Parties
  2. MatprojStructure
  3. mp-559099

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-559099
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 96
  • Number of elements: 4
  • Element list: ['K', 'Cu', 'N', 'O']
  • Chemical System: Cu-K-N-O
  • Density: 2.2443918788537074
  • Atomic Density: 0.06608431795630533
  • Unit Cell Volume: 1452.6895785392653
  • Molar Volume: 9.112813669321387
  • Full Formula: K12 Cu4 N20 O60
  • Reduced Formula: K3Cu(NO3)5
  • Formula Anonymous: AB3C5D15
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -608.65853737
  • Final energy per atom: -6.340193097604167
  • 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.