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  1. Third-Parties
  2. MatprojStructure
  3. mp-570146

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-570146
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 110
  • Number of elements: 5
  • Element list: ['Zn', 'Si', 'As', 'H', 'C']
  • Chemical System: As-C-H-Si-Zn
  • Density: 1.2978480412259492
  • Atomic Density: 0.08461873144528193
  • Unit Cell Volume: 1299.9485825562238
  • Molar Volume: 7.116793949923691
  • Full Formula: Zn2 Si8 As4 H72 C24
  • Reduced Formula: ZnSi4As2(H3C)12
  • Formula Anonymous: AB2C4D12E36
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -552.38930546
  • Final energy per atom: -5.021720958727272
  • 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.