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  1. Third-Parties
  2. MatprojStructure
  3. mp-581868

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-581868
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 72
  • Number of elements: 4
  • Element list: ['Na', 'Y', 'I', 'O']
  • Chemical System: I-Na-O-Y
  • Density: 4.750349957441874
  • Atomic Density: 0.06345372432578349
  • Unit Cell Volume: 1134.6851704139274
  • Molar Volume: 9.490602520162858
  • Full Formula: Na4 Y4 I16 O48
  • Reduced Formula: NaY(IO3)4
  • Formula Anonymous: ABC4D12
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -397.24368758
  • Final energy per atom: -5.517273438611111
  • 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.