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  1. Third-Parties
  2. MatprojStructure
  3. mp-1104583

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-1104583
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 15
  • Number of elements: 4
  • Element list: ['Pt', 'S', 'N', 'O']
  • Chemical System: N-O-Pt-S
  • Density: 3.095049860523359
  • Atomic Density: 0.06307754534513628
  • Unit Cell Volume: 237.80253207263723
  • Molar Volume: 9.547202141505574
  • Full Formula: Pt1 S2 N4 O8
  • Reduced Formula: PtS2(NO2)4
  • Formula Anonymous: AB2C4D8
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -83.55456774
  • Final energy per atom: -5.570304515999999
  • 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.