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  1. Third-Parties
  2. MatprojStructure
  3. mp-1200803

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-1200803
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 96
  • Number of elements: 4
  • Element list: ['Zn', 'H', 'N', 'O']
  • Chemical System: H-N-O-Zn
  • Density: 2.4240406929283496
  • Atomic Density: 0.08444850103219598
  • Unit Cell Volume: 1136.7874956525282
  • Molar Volume: 7.131139909403554
  • Full Formula: Zn8 H16 N16 O56
  • Reduced Formula: ZnH2N2O7
  • Formula Anonymous: AB2C2D7
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -578.81195959
  • Final energy per atom: -6.0292912457291665
  • 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.