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  1. Third-Parties
  2. MatprojStructure
  3. mp-646297

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-646297
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 62
  • Number of elements: 4
  • Element list: ['Hg', 'Pb', 'N', 'O']
  • Chemical System: Hg-N-O-Pb
  • Density: 5.330499862946403
  • Atomic Density: 0.062010130910337774
  • Unit Cell Volume: 999.8366249161379
  • Molar Volume: 9.711543374594042
  • Full Formula: Hg8 Pb4 N12 O38
  • Reduced Formula: Hg4Pb2N6O19
  • Formula Anonymous: A2B4C6D19
  • Spacegroup Number: 227
  • Spacegroup Symbol: Fd-3m1
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -362.36449285
  • Final energy per atom: -5.844588594354838
  • 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.