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  1. Third-Parties
  2. MatprojStructure
  3. mp-721084

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-721084
  • 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: 40
  • Number of elements: 3
  • Element list: ['H', 'I', 'N']
  • Chemical System: H-I-N
  • Density: 2.034781367108882
  • Atomic Density: 0.07565276786281673
  • Unit Cell Volume: 528.7314810812093
  • Molar Volume: 7.960238508285799
  • Full Formula: H28 I4 N8
  • Reduced Formula: H7IN2
  • Formula Anonymous: AB2C7
  • Spacegroup Number: 60
  • Spacegroup Symbol: Pbcn
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -188.91397716
  • Final energy per atom: -4.722849429
  • 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.