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  1. Third-Parties
  2. MatprojStructure
  3. mp-1247533

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-1247533
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 3
  • Element list: ['Pt', 'C', 'N']
  • Chemical System: C-N-Pt
  • Density: 5.03654576135557
  • Atomic Density: 0.061368838650775026
  • Unit Cell Volume: 325.89829691599385
  • Molar Volume: 9.813027087361943
  • Full Formula: Pt4 C8 N8
  • Reduced Formula: Pt(CN)2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 122
  • Spacegroup Symbol: I-42d
  • Crystal System: tetragonal
  • Pointgroup: -42m

Thermodynamics:

  • Final energy: -156.18936677
  • Final energy per atom: -7.809468338499999
  • 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.