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  1. Third-Parties
  2. MatprojStructure
  3. mp-1198759

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-1198759
  • 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: 40
  • Number of elements: 3
  • Element list: ['P', 'N', 'O']
  • Chemical System: N-O-P
  • Density: 1.7119155288815706
  • Atomic Density: 0.055439581867274934
  • Unit Cell Volume: 721.50616315545
  • Molar Volume: 10.862529184324114
  • Full Formula: P8 N8 O24
  • Reduced Formula: PNO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 64
  • Spacegroup Symbol: Cmce
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -250.18492674
  • Final energy per atom: -6.2546231685
  • 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.