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  1. Third-Parties
  2. MatprojStructure
  3. mp-1007768

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-1007768
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 42
  • Number of elements: 4
  • Element list: ['Zn', 'H', 'C', 'O']
  • Chemical System: C-H-O-Zn
  • Density: 2.1811373069959985
  • Atomic Density: 0.06455724504244835
  • Unit Cell Volume: 650.58538313374
  • Molar Volume: 9.328373222928363
  • Full Formula: Zn6 H6 C6 O24
  • Reduced Formula: ZnHCO4
  • Formula Anonymous: ABCD4
  • Spacegroup Number: 176
  • Spacegroup Symbol: P6_3/m
  • Crystal System: hexagonal
  • Pointgroup: 6/m

Thermodynamics:

  • Final energy: -263.80366851
  • Final energy per atom: -6.281039726428572
  • 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.