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  1. Third-Parties
  2. MatprojStructure
  3. mp-1204510

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-1204510
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 108
  • Number of elements: 5
  • Element list: ['Zn', 'H', 'C', 'N', 'O']
  • Chemical System: C-H-N-O-Zn
  • Density: 1.848578991812586
  • Atomic Density: 0.0917086745686358
  • Unit Cell Volume: 1177.6421424471857
  • Molar Volume: 6.566598839560114
  • Full Formula: Zn6 H42 C18 N6 O36
  • Reduced Formula: ZnH7C3NO6
  • Formula Anonymous: ABC3D6E7
  • Spacegroup Number: 173
  • Spacegroup Symbol: P6_3
  • Crystal System: hexagonal
  • Pointgroup: 6

Thermodynamics:

  • Final energy: -665.22603527
  • Final energy per atom: -6.159500326574074
  • 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.