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  1. Third-Parties
  2. MatprojStructure
  3. mp-568713

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-568713
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 56
  • Number of elements: 4
  • Element list: ['H', 'C', 'I', 'N']
  • Chemical System: C-H-I-N
  • Density: 2.8419048553532775
  • Atomic Density: 0.05613825942944233
  • Unit Cell Volume: 997.5371621627118
  • Molar Volume: 10.727337864062136
  • Full Formula: H32 C8 I12 N4
  • Reduced Formula: H8C2I3N
  • Formula Anonymous: AB2C3D8
  • Spacegroup Number: 56
  • Spacegroup Symbol: Pccn
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -253.20422551
  • Final energy per atom: -4.521504026964285
  • 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.