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  1. Third-Parties
  2. MatprojStructure
  3. mp-706601

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-706601
  • 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: 164
  • Number of elements: 6
  • Element list: ['Zn', 'H', 'C', 'S', 'N', 'O']
  • Chemical System: C-H-N-O-S-Zn
  • Density: 1.5601663736751026
  • Atomic Density: 0.07799462543357205
  • Unit Cell Volume: 2102.708989091545
  • Molar Volume: 7.721225310747919
  • Full Formula: Zn4 H64 C16 S16 N40 O24
  • Reduced Formula: ZnH16C4S4(N5O3)2
  • Formula Anonymous: AB4C4D6E10F16
  • Spacegroup Number: 56
  • Spacegroup Symbol: Pccn
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -932.13451634
  • Final energy per atom: -5.6837470508536585
  • 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.