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  1. Third-Parties
  2. MatprojStructure
  3. mp-706285

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-706285
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 76
  • Number of elements: 7
  • Element list: ['Na', 'H', 'Pt', 'C', 'Br', 'N', 'O']
  • Chemical System: Br-C-H-N-Na-O-Pt
  • Density: 2.986250440667207
  • Atomic Density: 0.06316204535200323
  • Unit Cell Volume: 1203.2542577817203
  • Molar Volume: 9.534429618987954
  • Full Formula: Na8 H16 Pt4 C16 Br8 N16 O8
  • Reduced Formula: Na2H4PtC4Br2(N2O)2
  • Formula Anonymous: AB2C2D2E4F4G4
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -469.80466322
  • Final energy per atom: -6.181640305526316
  • 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.