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  1. Third-Parties
  2. MatprojStructure
  3. mp-6860

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-6860
  • 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: 68
  • Number of elements: 5
  • Element list: ['Na', 'Al', 'P', 'N', 'O']
  • Chemical System: Al-N-Na-O-P
  • Density: 2.7679669794060504
  • Atomic Density: 0.08169391157398712
  • Unit Cell Volume: 832.3753715528109
  • Molar Volume: 7.371590665659305
  • Full Formula: Na12 Al4 P12 N4 O36
  • Reduced Formula: Na3AlP3NO9
  • Formula Anonymous: ABC3D3E9
  • Spacegroup Number: 198
  • Spacegroup Symbol: P2_13
  • Crystal System: cubic
  • Pointgroup: 23

Thermodynamics:

  • Final energy: -486.04096492
  • Final energy per atom: -7.14766124882353
  • 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.