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  1. Third-Parties
  2. MatprojStructure
  3. mp-720215

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-720215
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 61
  • Number of elements: 6
  • Element list: ['K', 'H', 'Pt', 'C', 'N', 'O']
  • Chemical System: C-H-K-N-O-Pt
  • Density: 2.744975522569331
  • Atomic Density: 0.06388571250992332
  • Unit Cell Volume: 954.8300802080732
  • Molar Volume: 9.426428106385423
  • Full Formula: K7 H12 Pt4 C16 N16 O6
  • Reduced Formula: K7H12Pt4C16(N8O3)2
  • Formula Anonymous: A4B6C7D12E16F16
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -402.87659515
  • Final energy per atom: -6.604534346721311
  • 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.