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  1. Third-Parties
  2. MatprojStructure
  3. mp-1199083

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-1199083
  • 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: 64
  • Number of elements: 3
  • Element list: ['C', 'N', 'O']
  • Chemical System: C-N-O
  • Density: 1.4411849108893098
  • Atomic Density: 0.06252295432804952
  • Unit Cell Volume: 1023.6240543625086
  • Molar Volume: 9.631887719832685
  • Full Formula: C16 N36 O12
  • Reduced Formula: C4(N3O)3
  • Formula Anonymous: A3B4C9
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -466.15804521
  • Final energy per atom: -7.28371945640625
  • 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.