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  1. Third-Parties
  2. MatprojStructure
  3. mp-1216191

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-1216191
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 42
  • Number of elements: 4
  • Element list: ['Zn', 'B', 'H', 'O']
  • Chemical System: B-H-O-Zn
  • Density: 3.8090614192490406
  • Atomic Density: 0.08003357978337554
  • Unit Cell Volume: 524.7797251313776
  • Molar Volume: 7.524517554131584
  • Full Formula: Zn12 B6 H2 O22
  • Reduced Formula: Zn6B3HO11
  • Formula Anonymous: AB3C6D11
  • Spacegroup Number: 161
  • Spacegroup Symbol: R3cH
  • Crystal System: trigonal
  • Pointgroup: 3m

Thermodynamics:

  • Final energy: -261.37842542
  • Final energy per atom: -6.223295843333333
  • 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.