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  1. Third-Parties
  2. MatprojStructure
  3. mp-1196083

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-1196083
  • 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: 52
  • Number of elements: 6
  • Element list: ['K', 'H', 'Au', 'C', 'N', 'O']
  • Chemical System: Au-C-H-K-N-O
  • Density: 2.652473798905727
  • Atomic Density: 0.05798033313759226
  • Unit Cell Volume: 896.8558334530362
  • Molar Volume: 10.38652321246404
  • Full Formula: K4 H8 Au4 C16 N16 O4
  • Reduced Formula: KH2AuC4N4O
  • Formula Anonymous: ABCD2E4F4
  • Spacegroup Number: 19
  • Spacegroup Symbol: P2_12_121
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -354.82380289
  • Final energy per atom: -6.823534670961539
  • 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.