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  1. Third-Parties
  2. MatprojStructure
  3. mp-1222793

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-1222793
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 62
  • Number of elements: 4
  • Element list: ['Na', 'Ni', 'P', 'O']
  • Chemical System: Na-Ni-O-P
  • Density: 2.7467094655996007
  • Atomic Density: 0.06989389285013506
  • Unit Cell Volume: 887.0589041726296
  • Molar Volume: 8.616118682804721
  • Full Formula: Na2 Ni8 P8 O44
  • Reduced Formula: NaNi4(P2O11)2
  • Formula Anonymous: AB4C4D22
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -384.92085665
  • Final energy per atom: -6.208400913709678
  • 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.