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  1. Third-Parties
  2. MatprojStructure
  3. mp-559065

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-559065
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 24
  • Number of elements: 3
  • Element list: ['Na', 'I', 'O']
  • Chemical System: I-Na-O
  • Density: 4.414978050462169
  • Atomic Density: 0.06000609439671869
  • Unit Cell Volume: 399.9593748149753
  • Molar Volume: 10.035881889239084
  • Full Formula: Na2 I6 O16
  • Reduced Formula: NaI3O8
  • Formula Anonymous: AB3C8
  • Spacegroup Number: 81
  • Spacegroup Symbol: P-4
  • Crystal System: tetragonal
  • Pointgroup: -4

Thermodynamics:

  • Final energy: -115.38721297
  • Final energy per atom: -4.807800540416666
  • 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.