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  1. Third-Parties
  2. MatprojStructure
  3. mp-696291

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-696291
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 30
  • Number of elements: 4
  • Element list: ['Zn', 'H', 'N', 'O']
  • Chemical System: H-N-O-Zn
  • Density: 2.4291466679187583
  • Atomic Density: 0.09733003788043859
  • Unit Cell Volume: 308.2296139332892
  • Molar Volume: 6.187340405022416
  • Full Formula: Zn2 H8 N4 O16
  • Reduced Formula: ZnH4(NO4)2
  • Formula Anonymous: AB2C4D8
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -175.71460825999998
  • Final energy per atom: -5.857153608666666
  • 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.