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  1. Third-Parties
  2. MatprojStructure
  3. mp-1198983

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-1198983
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 56
  • Number of elements: 4
  • Element list: ['Hg', 'P', 'N', 'O']
  • Chemical System: Hg-N-O-P
  • Density: 6.538584146924747
  • Atomic Density: 0.05652083268589653
  • Unit Cell Volume: 990.7851200849967
  • Molar Volume: 10.654727600116702
  • Full Formula: Hg16 P4 N4 O32
  • Reduced Formula: Hg4PNO8
  • Formula Anonymous: ABC4D8
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -274.42000556
  • Final energy per atom: -4.900357242142857
  • 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.