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  1. Third-Parties
  2. MatprojStructure
  3. mp-19374

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-19374
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 88
  • Number of elements: 5
  • Element list: ['K', 'Sr', 'Ni', 'N', 'O']
  • Chemical System: K-N-Ni-O-Sr
  • Density: 2.7047782022310116
  • Atomic Density: 0.07159189348546782
  • Unit Cell Volume: 1229.1894475156296
  • Molar Volume: 8.411763492779265
  • Full Formula: K8 Sr4 Ni4 N24 O48
  • Reduced Formula: K2SrNi(NO2)6
  • Formula Anonymous: ABC2D6E12
  • Spacegroup Number: 202
  • Spacegroup Symbol: Fm-3
  • Crystal System: cubic
  • Pointgroup: m-3

Thermodynamics:

  • Final energy: -583.38105041
  • Final energy per atom: -6.629330118295454
  • 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.