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  1. Third-Parties
  2. MatprojStructure
  3. mp-1213612

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-1213612
  • 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: 176
  • Number of elements: 5
  • Element list: ['Fe', 'H', 'C', 'N', 'O']
  • Chemical System: C-Fe-H-N-O
  • Density: 1.7306260780759362
  • Atomic Density: 0.10467643306430323
  • Unit Cell Volume: 1681.3717744077348
  • Molar Volume: 5.753100849644514
  • Full Formula: Fe4 H72 C24 N24 O52
  • Reduced Formula: FeH18C6N6O13
  • Formula Anonymous: AB6C6D13E18
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -1148.55037528
  • Final energy per atom: -6.5258544050000005
  • 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.