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  1. Third-Parties
  2. MatprojStructure
  3. mp-696512

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-696512
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 16
  • Number of elements: 4
  • Element list: ['Na', 'H', 'I', 'O']
  • Chemical System: H-I-Na-O
  • Density: 2.4360737497753213
  • Atomic Density: 0.06312392573672497
  • Unit Cell Volume: 253.4696600894601
  • Molar Volume: 9.540187321550517
  • Full Formula: Na2 H8 I2 O4
  • Reduced Formula: NaH4IO2
  • Formula Anonymous: ABC2D4
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -73.61787112
  • Final energy per atom: -4.601116945
  • 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.