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  1. Third-Parties
  2. MatprojStructure
  3. mp-1207652

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-1207652
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 4
  • Element list: ['Zn', 'W', 'S', 'O']
  • Chemical System: O-S-W-Zn
  • Density: 5.977572675261609
  • Atomic Density: 0.04910521448840455
  • Unit Cell Volume: 570.2042093026959
  • Molar Volume: 12.263750037019056
  • Full Formula: Zn4 W8 S4 O12
  • Reduced Formula: ZnW2SO3
  • Formula Anonymous: ABC2D3
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -178.80045169
  • Final energy per atom: -6.3857304175
  • 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.