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  1. Third-Parties
  2. MatprojStructure
  3. mp-23998

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-23998
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 27
  • Number of elements: 5
  • Element list: ['Zn', 'H', 'N', 'Cl', 'O']
  • Chemical System: Cl-H-N-O-Zn
  • Density: 1.9556321767986697
  • Atomic Density: 0.09565301260259416
  • Unit Cell Volume: 282.27025229383884
  • Molar Volume: 6.295819228423001
  • Full Formula: Zn1 H12 N4 Cl2 O8
  • Reduced Formula: ZnH12N4(ClO4)2
  • Formula Anonymous: AB2C4D8E12
  • Spacegroup Number: 216
  • Spacegroup Symbol: F-43m
  • Crystal System: cubic
  • Pointgroup: -43m

Thermodynamics:

  • Final energy: -135.62668617
  • Final energy per atom: -5.023210598888888
  • 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.