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  1. Third-Parties
  2. MatprojStructure
  3. mp-698312

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-698312
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 31
  • Number of elements: 7
  • Element list: ['K', 'H', 'Pt', 'C', 'S', 'N', 'O']
  • Chemical System: C-H-K-N-O-Pt-S
  • Density: 2.3606851900108206
  • Atomic Density: 0.06192243049682063
  • Unit Cell Volume: 500.6263441418321
  • Molar Volume: 9.725297782536499
  • Full Formula: K4 H4 Pt1 C6 S2 N2 O12
  • Reduced Formula: K4H4PtC6S2(NO6)2
  • Formula Anonymous: AB2C2D4E4F6G12
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -197.85617485
  • Final energy per atom: -6.382457253225806
  • 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.