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  1. Third-Parties
  2. MatprojStructure
  3. mp-625948

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-625948
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:40 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 56
  • Number of elements: 3
  • Element list: ['H', 'N', 'O']
  • Chemical System: H-N-O
  • Density: 1.3776655337731716
  • Atomic Density: 0.09922454340361203
  • Unit Cell Volume: 564.3764947570568
  • Molar Volume: 6.069204809039997
  • Full Formula: H28 N4 O24
  • Reduced Formula: H7NO6
  • Formula Anonymous: AB6C7
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -309.65065814
  • Final energy per atom: -5.529476038214286
  • 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.