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  1. Third-Parties
  2. MatprojStructure
  3. mp-1219720

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-1219720
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 3
  • Number of elements: 3
  • Element list: ['Pt', 'Se', 'S']
  • Chemical System: Pt-S-Se
  • Density: 7.976322741172995
  • Atomic Density: 0.04707591574680836
  • Unit Cell Volume: 63.726853793670344
  • Molar Volume: 12.792402791247428
  • Full Formula: Pt1 Se1 S1
  • Reduced Formula: PtSeS
  • Formula Anonymous: ABC
  • Spacegroup Number: 156
  • Spacegroup Symbol: P3m1
  • Crystal System: trigonal
  • Pointgroup: 3m1

Thermodynamics:

  • Final energy: -15.7209878
  • Final energy per atom: -5.2403292666666665
  • 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.