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  1. Third-Parties
  2. MatprojStructure
  3. mp-1180620

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-1180620
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 36
  • Number of elements: 4
  • Element list: ['Na', 'Se', 'N', 'O']
  • Chemical System: N-Na-O-Se
  • Density: 1.611034997222087
  • Atomic Density: 0.04119638296466916
  • Unit Cell Volume: 873.8631260631381
  • Molar Volume: 14.618129861460673
  • Full Formula: Na4 Se4 N4 O24
  • Reduced Formula: NaSeNO6
  • Formula Anonymous: ABCD6
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -189.58149615
  • Final energy per atom: -5.266152670833333
  • 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.