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  1. Third-Parties
  2. MatprojStructure
  3. mp-997570

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-997570
  • 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: 36
  • Number of elements: 4
  • Element list: ['H', 'C', 'I', 'N']
  • Chemical System: C-H-I-N
  • Density: 2.2931778415081676
  • Atomic Density: 0.07818389689093706
  • Unit Cell Volume: 460.45287369365
  • Molar Volume: 7.702533385360171
  • Full Formula: H24 C4 I4 N4
  • Reduced Formula: H6CIN
  • Formula Anonymous: ABCD6
  • Spacegroup Number: 57
  • Spacegroup Symbol: Pbcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -172.02703653
  • Final energy per atom: -4.7785287925
  • 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.