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  1. Third-Parties
  2. MatprojStructure
  3. mp-758453

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-758453
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 60
  • Number of elements: 5
  • Element list: ['Na', 'P', 'H', 'N', 'O']
  • Chemical System: H-N-Na-O-P
  • Density: 2.1915537478617244
  • Atomic Density: 0.08999789836750796
  • Unit Cell Volume: 666.6822346782918
  • Molar Volume: 6.691423765706712
  • Full Formula: Na8 P8 H16 N8 O20
  • Reduced Formula: Na2P2H4N2O5
  • Formula Anonymous: A2B2C2D4E5
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -376.04636503
  • Final energy per atom: -6.267439417166667
  • 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.