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  1. Third-Parties
  2. MatprojStructure
  3. mp-1188087

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-1188087
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:40 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 4
  • Element list: ['Pt', 'S', 'N', 'O']
  • Chemical System: N-O-Pt-S
  • Density: 3.1299240405939988
  • Atomic Density: 0.054292302195613984
  • Unit Cell Volume: 368.37634786494107
  • Molar Volume: 11.092071097487002
  • Full Formula: Pt2 S2 N8 O8
  • Reduced Formula: PtS(NO)4
  • Formula Anonymous: ABC4D4
  • Spacegroup Number: 141
  • Spacegroup Symbol: I4_1/amd
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -104.33624083
  • Final energy per atom: -5.2168120415
  • 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.