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  1. Third-Parties
  2. MatprojStructure
  3. mp-1212399

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-1212399
  • 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: 24
  • Number of elements: 4
  • Element list: ['H', 'I', 'N', 'O']
  • Chemical System: H-I-N-O
  • Density: 2.5848304454205016
  • Atomic Density: 0.053392495580619245
  • Unit Cell Volume: 449.5013716630184
  • Molar Volume: 11.279002216532383
  • Full Formula: H8 I4 N4 O8
  • Reduced Formula: H2INO2
  • Formula Anonymous: ABC2D2
  • Spacegroup Number: 88
  • Spacegroup Symbol: I4_1/a
  • Crystal System: tetragonal
  • Pointgroup: 4/m

Thermodynamics:

  • Final energy: -96.80626137
  • Final energy per atom: -4.03359422375
  • 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.