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  1. Third-Parties
  2. MatprojStructure
  3. mp-1193007

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-1193007
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 30
  • Number of elements: 5
  • Element list: ['Na', 'V', 'H', 'I', 'O']
  • Chemical System: H-I-Na-O-V
  • Density: 3.7140708219099796
  • Atomic Density: 0.07081780922748454
  • Unit Cell Volume: 423.62225444778284
  • Molar Volume: 8.503709484510283
  • Full Formula: Na2 V2 H4 I4 O18
  • Reduced Formula: NaVH2I2O9
  • Formula Anonymous: ABC2D2E9
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -171.90803047
  • Final energy per atom: -5.730267682333333
  • 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.