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  1. Third-Parties
  2. MatprojStructure
  3. mp-24776

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-24776
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 160
  • Number of elements: 4
  • Element list: ['Fe', 'H', 'N', 'O']
  • Chemical System: Fe-H-N-O
  • Density: 1.800499550763932
  • Atomic Density: 0.10735580543612876
  • Unit Cell Volume: 1490.3711946457508
  • Molar Volume: 5.609515699253794
  • Full Formula: Fe4 H72 N12 O72
  • Reduced Formula: FeH18(NO6)3
  • Formula Anonymous: AB3C18D18
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -920.6531221
  • Final energy per atom: -5.754082013125
  • 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.